AG003RXP

106726-82-3 | 3-​Pyridinecarboxylic acid, 5-​cyano-​, methyl ester

AG003RXP

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CAS Number	106726-82-3
Catalog Number	AG003RXP(AGN-PC-00NBUY)
Chemical Name	3-​Pyridinecarboxylic acid, 5-​cyano-​, methyl ester
IUPAC Name	methyl 5-cyanopyridine-3-carboxylate
InChI	InChI=1S/C8H6N2O2/c1-12-8(11)7-2-6(3-9)4-10-5-7/h2,4-5H,1H3
InChI Key	RLUVYUFWNPLVPL-UHFFFAOYSA-N
MDL Number	MFCD07367902
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	C(=O)(OC)c1cc(C#N)cnc1
Synonyms	Methyl 5-cyanonicotinate, 106726-82-3, 5-Cyano-3-pyridinecarboxylic acid methyl ester, methyl 5-cyanopyridine-3-carboxylate, 3-Pyridinecarboxylicacid, 5-cyano-, methyl ester, 3-Pyridinecarboxylic acid, 5-cyano-, methyl ester, ACMC-1BNRB, methyl-5-cyano-nicotinate, 5-carbomethoxy-3-cyanopyridine, SCHEMBL1413482, CTK4A4734, DTXSID50545259, RLUVYUFWNPLVPL-UHFFFAOYSA-N, ANW-46902, MFCD07367902, ZINC21984981, AKOS006286287, AB31365, DS-1765, RP02215, TRA0033819, VP14797, AC-23038, AJ-79280, AK-27141, AN-33841, BC207472, SC-50725, SY029382, AB0034633, RT-020805, 4CH-004573, FT-0658799, ST24033264, X8812, 5-Cyanopyridine-3-carboxylic acid methyl ester, C-1752, MFCD07367902 (95+%), 726C823, A801491, I02-1574, W-204610, Methyl5-cyanonicotinate, C8H6N2O2,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.148g/mol
Monoisotopic Mass	162.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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