AG01DNIL

794592-13-5 | 2-Pyridinecarboxylic acid, 5-bromo-3-methyl-, ethyl ester

AG01DNIL

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CAS Number	794592-13-5
Catalog Number	AG01DNIL(AGN-PC-09RYY5)
Chemical Name	2-Pyridinecarboxylic acid, 5-bromo-3-methyl-, ethyl ester
IUPAC Name	ethyl 5-bromo-3-methylpyridine-2-carboxylate
InChI	InChI=1S/C9H10BrNO2/c1-3-13-9(12)8-6(2)4-7(10)5-11-8/h4-5H,3H2,1-2H3
InChI Key	ZZKIZHFVMLOYHR-UHFFFAOYSA-N
MDL Number	MFCD15523779
Molecular Formula	C9H10BrNO2
Molecular Weight	244.0852
SMILES	O=C(OCC)C1=NC=C(Br)C=C1C
Synonyms	Ethyl 5-bromo-3-methylpicolinate, 794592-13-5, 5-Bromo-3-methylpyridine-2-carboxylic acid ethyl ester, ethyl 5-bromo-3-methylpyridine-2-carboxylate, 2-Pyridinecarboxylic acid, 5-bromo-3-methyl-, ethyl ester, SCHEMBL4674787, ZZKIZHFVMLOYHR-UHFFFAOYSA-N, 5-BROMO-3-METHYL-PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER, MFCD15523779, ZINC90413428, AKOS027322454, FCH1390853, AK313528, SC-82211, AX8256882, CS-0084871, Z0850, Q-7739, 5-BROMO-3-METHYL-PYRIDINE-2-CARBOXYLIC ACID ETHYL, C9H10BrNO2,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.989g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.088g/mol
Monoisotopic Mass	242.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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