AG000NNE

1254163-81-9 | 2-Pyridinecarboxylic acid, 6-chloro-5-cyano-, methyl ester

AG000NNE

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CAS Number	1254163-81-9
Catalog Number	AG000NNE(AGN-PC-0WD3XZ)
Chemical Name	2-Pyridinecarboxylic acid, 6-chloro-5-cyano-, methyl ester
IUPAC Name	methyl 6-chloro-5-cyanopyridine-2-carboxylate
InChI	InChI=1S/C8H5ClN2O2/c1-13-8(12)6-3-2-5(4-10)7(9)11-6/h2-3H,1H3
InChI Key	KYWVRBNZSCWZMY-UHFFFAOYSA-N
MDL Number	MFCD18632617
Molecular Formula	C8H5ClN2O2
Molecular Weight	196.5905
SMILES	O=C(OC)C1=NC(Cl)=C(C#N)C=C1
Synonyms	Methyl 6-chloro-5-cyanopicolinate, 1254163-81-9, methyl 6-chloro-5-cyanopyridine-2-carboxylate, 6-chloro-5-cyano-pyridine-2-carboxylic acid methyl ester, SCHEMBL112846, KYWVRBNZSCWZMY-UHFFFAOYSA-N, FCH900076, MFCD18632617, ZINC66327929, AKOS006318786, AK142834, AJ-116099, AX8313023, DB-062378, FT-0748414, I02-2910, 2-Pyridinecarboxylic acid, 6-chloro-5-cyano-, methyl ester,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.004g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.59g/mol
Monoisotopic Mass	196.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H332
Packing Group	\N
Precautionary statements	P280
Signal Words	warning
UN Code	\N

Certificate of Analysis

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