AG00FFDW

669070-64-8 | 2-(2-Pyridinyl)-1H-benzimidazole-5-carboxylic acid

AG00FFDW

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CAS Number	669070-64-8
Catalog Number	AG00FFDW(AGN-PC-0OFXEM)
Chemical Name	2-(2-Pyridinyl)-1H-benzimidazole-5-carboxylic acid
IUPAC Name	2-pyridin-2-yl-3H-benzimidazole-5-carboxylic acid
InChI	InChI=1S/C13H9N3O2/c17-13(18)8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)(H,17,18)
InChI Key	HCHZJVIOJPDFKA-UHFFFAOYSA-N
MDL Number	MFCD06245483
Molecular Formula	C13H9N3O2
Molecular Weight	239.2295
SMILES	O=C(C1=CC=C2N=C(C3=NC=CC=C3)NC2=C1)O
Synonyms	669070-64-8, 2-(Pyridin-2-yl)-1H-benzo[d]imidazole-6-carboxylic acid, CHEMBL174331, 2-(2-Pyridinyl)-1H-benzimidazole-6-carboxylic acid, 2-(2-pyridinyl)-1h-benzimidazole-5-carboxylic acid, AK-66878, 2-pyridin-2-yl-3H-benzimidazole-5-carboxylic acid, 2-Pyridin-2-yl-1H-benzoimidazole-5-carboxylic acid, 2-Pyridin-2-yl-3H-benzoimidazole-5-carboxylic acid, 2-(pyridin-2-yl)-1H-1,3-benzodiazole-6-carboxylic acid, AC1LAHI3, SCHEMBL179109, SCHEMBL19970726, CTK5C5380, CTK7I8393, KS-00000OAL, DTXSID60333604, HCHZJVIOJPDFKA-UHFFFAOYSA-N, ZINC3626301, BDBM50137474, MFCD06245483, STK360623, AKOS000549590, AKOS005442381, AS-3249, MCULE-6444062393, AJ-75703, AX8207406, TR-070460, ST24039742, P57135, 2-(2-pyridyl)-1H-benzimidazole-5-carboxylic acid, 2-(2-Pyridyl)-1H-benzoimidazole-5-carboxylic acid, 2-(pyridin-2-yl)-1H-benzimidazole-6-carboxylic acid, BRD-K74581401-001-01-8, 1H-Benzimidazole-5-carboxylic acid, 2-(2-pyridinyl)-, Z637700744, 2-(pyridin-2-yl)-3H-1,3-benzodiazole-5-carboxylic acid, 2-(PYRIDIN-2-YL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLIC ACID, AIDS189567, CID513895, 2- -1H-benzimidazole-5-carboxylicacid, N/A,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.069g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	239.234g/mol
Monoisotopic Mass	239.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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