AG00BZH4

381247-99-0 | Methyl 5-bromo-6-hydroxynicotinate

AG00BZH4

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CAS Number	381247-99-0
Catalog Number	AG00BZH4(AGN-PC-0KKQ5E)
Chemical Name	Methyl 5-bromo-6-hydroxynicotinate
IUPAC Name	methyl 5-bromo-6-oxo-1H-pyridine-3-carboxylate
InChI	InChI=1S/C7H6BrNO3/c1-12-7(11)4-2-5(8)6(10)9-3-4/h2-3H,1H3,(H,9,10)
InChI Key	KKMVACLRBBJYIJ-UHFFFAOYSA-N
MDL Number	MFCD08235247
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	COC(=O)C1=CC(Br)=C(O)N=C1
Synonyms	Methyl 5-bromo-6-hydroxynicotinate, 381247-99-0, methyl 5-bromo-6-hydroxypyridine-3-carboxylate, methyl 5-bromo-6-oxo-1,6-dihydropyridine-3-carboxylate, Methyl 5-bromo-6-oxo-1,6-dihydro-3-pyridinecarboxylate, 5-Bromo-6-hydroxy-nicotinic acid methyl ester, METHYL5-BROMO-6-HYDROXYNICOTINATE, methyl 5-bromo-6-oxo-1H-pyridine-3-carboxylate, MFCD08235247, 3-Pyridinecarboxylic acid, 5-bromo-1,6-dihydro-6-oxo-, methyl ester, ACMC-1ADFK, AC1MC9M7, SCHEMBL197929, CTK4H9364, CTK6I8831, DTXSID90377399, KKMVACLRBBJYIJ-UHFFFAOYSA-N, KS-00001ZZ6, ANW-28816, MFCD03791238, SBB053800, ZINC16124740, AKOS005071134, AKOS015834010, MCULE-3781591441, QC-8232, RP05578, RP13332, AJ-68369, BL005619, CS-10584, SC-51562, AB0001514, AB0074267, TR-015432, A6469, CS-0061828, FT-0682798, Y8935, 3-Bromo-2-hydroxy-5-(methoxycarbonyl)pyridine, B-3607, C-4296, Z-8056, methyl 5-bromo-6-hydroxy-pyridine-3-carboxylate, 7W-0339, I02-2578, J-522462, Methyl-5-Bromo-6-Oxo-1,6-Dihydro-3-Pyridine carbox, 5-Bromo-6-hydroxy-3-pyridinecarboxylic acid methyl ester, F1907-2323, Methyl 5-bromo-1,6-dihydro-6-oxopyridine-3-carboxylate, methyl 5-bromo-6-oxo-1,6-dihydropyridine-3-caboxylate, methyl-5-bromo-6-oxo-1,6-dihydropyridine-3-carboxylate, 5-Bromo-1,6-dihydro-6-oxo-3-pyridinecarboxylic acid methyl ester, 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid methyl ester, C7H6BrNO3, ZINC00170120, CID2764315, methyl 5-bromo-6-hydroxypyridine-3-carboxylate, 95% - 1G 1g, 5-bromo-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid methyl ester,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.953g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.033g/mol
Monoisotopic Mass	230.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number