AG00IFA9

886435-73-0 | 3-Pyridinecarboxylic acid, 5-amino-2-chloro-, methyl ester

AG00IFA9

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CAS Number	886435-73-0
Catalog Number	AG00IFA9(AGN-PC-09RYW6)
Chemical Name	3-Pyridinecarboxylic acid, 5-amino-2-chloro-, methyl ester
IUPAC Name	methyl 5-amino-2-chloropyridine-3-carboxylate
InChI	InChI=1S/C7H7ClN2O2/c1-12-7(11)5-2-4(9)3-10-6(5)8/h2-3H,9H2,1H3
InChI Key	LPOFXAOIWIQBFP-UHFFFAOYSA-N
MDL Number	MFCD11848216
Molecular Formula	C7H7ClN2O2
Molecular Weight	186.5957
SMILES	O=C(OC)C1=C(Cl)N=CC(N)=C1
Synonyms	METHYL 5-AMINO-2-CHLORONICOTINATE, 886435-73-0, METHYL 5-AMINO-2-CHLOROPYRIDINE-3-CARBOXYLATE, 3-Pyridinecarboxylic acid, 5-amino-2-chloro-, methyl ester, SCHEMBL2357625, MFCD11848216, ZINC95761017, AKOS024261630, AB64794, GS-5005, KS-0000260H, SC-29755, AJ-133785, CS-0082265, V8677, 5-AMINO-2-CHLORO-NICOTINIC ACID METHYL ESTER, C7H7ClN2O2,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.595g/mol
Monoisotopic Mass	186.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	65.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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