Dataset

Nicotinic acid, 59-67-6[6]

Nicotinic acid, 59-67-6

Chemical Information

InChI	InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
SMILES	O=C(O)C1=CN=CC=C1
InChI Key	PVNIIMVLHYAWGP-UHFFFAOYSA-N
Molecular Formula	C6H5NO2
Exact Mass	123.110 g/mol

Data and Resources

Nicotinic acid, 59-67-6[6]HTML

Go to source

Related Molecule ⌄

pyridine-3-carboxylic acid

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p12.s73.d425
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D425
Version
Author	Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language	english
MetadataPublished	2022-11-09T09:57:24.000000Z
Related Molecule	pyridine-3-carboxylic acid

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : MeOD acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm PABBO BB-1H/19F/D Z-GRD Z129133/0001 Temperature : 297.9897 K magnetic field strength : 16.444609318674203 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : [7.19866793898469, 135.222368997496] number of data points : 3 points relaxation time measurement : 1.5 seconds

Data-Source Molecule ID	Data-Source
DB00627	drugbank
CHEBI:15940	chebi
NIO	rcsb_pdb
CHEMBL573	chembl
1433	surechembl
16147135	surechembl
29349574	surechembl
117629482	pubchem
938	pubchem
2679MF687A	fdasrs
1588	gtopdb
1594	gtopdb
PD001840	probes_and_drugs
NICOAC	CCDC
1029	brenda
107144	brenda
11184	brenda
1282	brenda
143710	brenda
145298	brenda
171408	brenda
183397	brenda
221654	brenda
43365	brenda
43567	brenda
45153	brenda
50899	brenda
51559	brenda
NIO	pdbe
HMDB0001488	hmdb
DTXSID1020932	comptox
NCT00000461	clinicaltrials
NCT00000482	clinicaltrials
NCT00000512	clinicaltrials
NCT00000539	clinicaltrials
NCT00000553	clinicaltrials
NCT00000599	clinicaltrials
NCT00062556	clinicaltrials
NCT00071266	clinicaltrials
NCT00079638	clinicaltrials
NCT00080275	clinicaltrials
NCT00082251	clinicaltrials
NCT00108485	clinicaltrials
NCT00111891	clinicaltrials
NCT00120289	clinicaltrials
NCT00127218	clinicaltrials
NCT00150722	clinicaltrials
NCT00152893	clinicaltrials
NCT00170404	clinicaltrials
NCT00176020	clinicaltrials
NCT00194402	clinicaltrials
NCT00203476	clinicaltrials
NCT00238004	clinicaltrials
NCT00269204	clinicaltrials
NCT00269204	clinicaltrials
NCT00269217	clinicaltrials
NCT00269217	clinicaltrials
NCT00271817	clinicaltrials
NCT00271817	clinicaltrials
NCT00271817	clinicaltrials
NCT00286234	clinicaltrials
NCT00289900	clinicaltrials
NCT00298909	clinicaltrials
NCT00300365	clinicaltrials
NCT00302744	clinicaltrials
NCT00304993	clinicaltrials
NCT00307307	clinicaltrials
NCT00345657	clinicaltrials
NCT00346970	clinicaltrials
NCT00359281	clinicaltrials
NCT00376584	clinicaltrials
NCT00378833	clinicaltrials
NCT00384293	clinicaltrials
NCT00397657	clinicaltrials
NCT00431145	clinicaltrials
NCT00461630	clinicaltrials
NCT00465088	clinicaltrials
NCT00479388	clinicaltrials
NCT00479882	clinicaltrials
NCT00485758	clinicaltrials
NCT00493064	clinicaltrials
NCT00500045	clinicaltrials
NCT00508989	clinicaltrials
NCT00533312	clinicaltrials
NCT00533611	clinicaltrials
NCT00536237	clinicaltrials
NCT00536510	clinicaltrials
NCT00590629	clinicaltrials
NCT00608699	clinicaltrials
NCT00618995	clinicaltrials
NCT00619060	clinicaltrials
NCT00626392	clinicaltrials
NCT00630877	clinicaltrials
NCT00633698	clinicaltrials
NCT00652431	clinicaltrials
NCT00664287	clinicaltrials
NCT00687076	clinicaltrials
NCT00712049	clinicaltrials
NCT00715273	clinicaltrials
NCT00728910	clinicaltrials
NCT00738985	clinicaltrials
NCT00769132	clinicaltrials
NCT00796887	clinicaltrials
NCT00804843	clinicaltrials
NCT00852969	clinicaltrials
NCT00855257	clinicaltrials
NCT00903617	clinicaltrials
NCT00943124	clinicaltrials
NCT00943124	clinicaltrials
NCT00944645	clinicaltrials
NCT00957359	clinicaltrials
NCT00961636	clinicaltrials
NCT01005303	clinicaltrials
NCT01010516	clinicaltrials
NCT01012219	clinicaltrials
NCT01052311	clinicaltrials
NCT01054508	clinicaltrials
NCT01071291	clinicaltrials
NCT01071525	clinicaltrials
NCT01083329	clinicaltrials
NCT01104519	clinicaltrials
NCT01118598	clinicaltrials
NCT01126073	clinicaltrials
NCT01221402	clinicaltrials
NCT01237041	clinicaltrials
NCT01239992	clinicaltrials
NCT01274559	clinicaltrials
NCT01275300	clinicaltrials
NCT01275300	clinicaltrials
NCT01294683	clinicaltrials
NCT01294683	clinicaltrials
NCT01308203	clinicaltrials
NCT01321034	clinicaltrials
NCT01335997	clinicaltrials
NCT01335997	clinicaltrials
NCT01368328	clinicaltrials
NCT01426438	clinicaltrials
NCT01450410	clinicaltrials
NCT01583647	clinicaltrials
NCT01672710	clinicaltrials
NCT01683656	clinicaltrials
NCT01720095	clinicaltrials
NCT01809301	clinicaltrials
NCT01921010	clinicaltrials
NCT01942291	clinicaltrials
NCT01984073	clinicaltrials
NCT02018965	clinicaltrials
NCT02109614	clinicaltrials
NCT02153879	clinicaltrials
NCT02322203	clinicaltrials
NCT02458924	clinicaltrials
NCT02642159	clinicaltrials
NCT02702492	clinicaltrials
NCT02890992	clinicaltrials
NCT03163576	clinicaltrials
NCT03356483	clinicaltrials
NCT03510715	clinicaltrials
NCT03510884	clinicaltrials
NCT03540758	clinicaltrials
NCT03615534	clinicaltrials
NCT03685773	clinicaltrials
NCT03752918	clinicaltrials
NCT03866174	clinicaltrials
NCT03867500	clinicaltrials
NCT04242927	clinicaltrials
NCT04281420	clinicaltrials
NCT04424225	clinicaltrials
NCT04464070	clinicaltrials
NCT04630964	clinicaltrials
NCT04677049	clinicaltrials
NCT04703361	clinicaltrials
NCT05398484	clinicaltrials
NCT05452772	clinicaltrials
NCT05709353	clinicaltrials
NCT05846373	clinicaltrials
NCT06140953	clinicaltrials
NCT06175403	clinicaltrials
NCT06200155	clinicaltrials
NCT06378125	clinicaltrials
NCT06444243	clinicaltrials
Molport-000-142-273	molport
2835	drugcentral
23515	bindingdb
The data in this table is sourced from UniChem at EBI.