Methyl 5-Methylpyridine-2-carboxylate - CAS 29681-38-7

Catalog:	BB020270
Product Name:	Methyl 5-Methylpyridine-2-carboxylate
CAS:	29681-38-7
Synonyms:	5-methyl-2-pyridinecarboxylic acid methyl ester; methyl 5-methylpyridine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-methylpyridine-2-carboxylate
Description:	Methyl 5-Methylpyridine-2-carboxylate (CAS# 29681-38-7) is a useful research chemical.
Molecular Weight:	151.16
Molecular Formula:	C8H9NO2
Canonical SMILES:	CC1=CN=C(C=C1)C(=O)OC
InChI:	InChI=1S/C8H9NO2/c1-6-3-4-7(9-5-6)8(10)11-2/h3-5H,1-2H3
InChI Key:	GLXLMXAFURBIEZ-UHFFFAOYSA-N
Boiling Point:	253.5 °C at 760 mmHg
Density:	1.104 g/cm³
Appearance:	Yellow powder
LogP:	1.17660

Publication Number	Title	Priority Date
WO-2021151014-A1	Pgdh inhibitors and methods of making and using	20200123
WO-2021121294-A1	Triazolopyridazine derivative, preparation method therefor, pharmaceutical composition thereof, and use thereof	20191216
WO-2020228649-A1	Substituted phenylpropenylpyridine derivative, and preparation method therefor and medical use thereof	20190510
CN-112566905-A	Substituted phenyl propenyl pyridine derivatives, preparation method and medical application thereof	20190510
TW-202045480-A	Compounds and methods of use	20190227

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Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.06332853
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	151.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7