AG000JOX

1228880-68-9 | 2-Pyridinecarboxylic acid, 3-bromo-5-methyl-, methyl ester

AG000JOX

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CAS Number	1228880-68-9
Catalog Number	AG000JOX(AGN-PC-088PZZ)
Chemical Name	2-Pyridinecarboxylic acid, 3-bromo-5-methyl-, methyl ester
IUPAC Name	methyl 3-bromo-5-methylpyridine-2-carboxylate
InChI	InChI=1S/C8H8BrNO2/c1-5-3-6(9)7(10-4-5)8(11)12-2/h3-4H,1-2H3
InChI Key	WBEKRCUPWRCRGA-UHFFFAOYSA-N
MDL Number	MFCD12911847
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	O=C(OC)C1=NC=C(C)C=C1Br
Synonyms	METHYL 3-BROMO-5-METHYLPICOLINATE, 1228880-68-9, METHYL 3-BROMO-5-METHYLPYRIDINE-2-CARBOXYLATE, 2-Pyridinecarboxylic acid, 3-bromo-5-methyl-, methyl ester, SCHEMBL1915284, AMPD00219, DTXSID30678751, WBEKRCUPWRCRGA-UHFFFAOYSA-N, ZX-AT017969, MFCD12911847, ZINC66327917, AKOS015892107, AM85516, FCH1378361, OR47834, QC-4228, RP27874, AJ-116093, AX8165826, DB-062113, FT-0703407, 3-Bromo-2-(methoxycarbonyl)-5-methylpyridine, C-2438, I02-2629, J-522155, 2-Pyridinecarboxylicacid,3-bromo-5-methyl-,methylester, 3-Bromo-5-methyl-pyridine-2-carboxylic acid methyl ester,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.061g/mol
Monoisotopic Mass	228.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H317
Packing Group
Precautionary statements	P305+P351+P338-P280
UN Code

Certificate of Analysis

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