Methyl 6-Bromo-5-methylnicotinate - CAS 1210451-92-5

Catalog:	BB005026
Product Name:	Methyl 6-Bromo-5-methylnicotinate
CAS:	1210451-92-5
Synonyms:	6-bromo-5-methyl-3-pyridinecarboxylic acid methyl ester; methyl 6-bromo-5-methylpyridine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 6-bromo-5-methylpyridine-3-carboxylate
Description:	Methyl 6-Bromo-5-methylnicotinate (CAS# 1210451-92-5 ) is a useful research chemical.
Molecular Weight:	230.06
Molecular Formula:	C8H8BrNO2
Canonical SMILES:	CC1=C(N=CC(=C1)C(=O)OC)Br
InChI:	InChI=1S/C8H8BrNO2/c1-5-3-6(8(11)12-2)4-10-7(5)9/h3-4H,1-2H3
InChI Key:	PZHHVEKWOYHXMK-UHFFFAOYSA-N
LogP:	1.93910

Publication Number	Title	Priority Date
WO-2021108974-A1	Compounds for modulating activity of fxr and uses thereof	20191203
WO-2021109712-A1	Compounds for modulating activity of fxr and uses thereof	20191203
WO-2021109713-A1	Use and pharmaceutical composition of phenylisoxazolyl methylene-naphthalene-ether derivatives	20191203
US-2020361939-A1	Modulators of alpha-1 antitrypsin	20190514
WO-2020247160-A1	Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators	20190514

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.97384
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1