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Methyl 5-Bromo-6-oxo-1,6-dihydropyridine-2-carboxylate

Methyl 5-Bromo-6-oxo-1,6-dihydropyridine-2-carboxylate - CAS 178876-86-3

Catalog:	BB013511
Product Name:	Methyl 5-Bromo-6-oxo-1,6-dihydropyridine-2-carboxylate
CAS:	178876-86-3
Synonyms:	5-bromo-6-oxo-1H-pyridine-2-carboxylic acid methyl ester; methyl 5-bromo-6-oxo-1H-pyridine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-6-oxo-1H-pyridine-2-carboxylate
Description:	Methyl 5-Bromo-6-oxo-1,6-dihydropyridine-2-carboxylate (CAS# 178876-86-3) is a useful research chemical.
Molecular Weight:	232.03
Molecular Formula:	C7H6BrNO3
Canonical SMILES:	COC(=O)C1=CC=C(C(=O)N1)Br
InChI:	InChI=1S/C7H6BrNO3/c1-12-7(11)5-3-2-4(8)6(10)9-5/h2-3H,1H3,(H,9,10)
InChI Key:	OZVOYEXCBCAMNC-UHFFFAOYSA-N
LogP:	1.33630

Publication Number	Title	Priority Date
CA-3007025-A1	Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity	20151222
US-10654814-B2	Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity	20151222
US-2019284147-A1	Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity	20151222
EP-3394052-B1	Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity	20151222
JP-6927589-B2	Bicyclic hydroxamic acid useful as an inhibitor of mammalian histone deacetylase activity	20151222

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Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.95311
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.95311
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2