Ethyl 3-Methylpyridine-2-carboxylate - CAS 58997-10-7

Catalog:	BB030224
Product Name:	Ethyl 3-Methylpyridine-2-carboxylate
CAS:	58997-10-7
Synonyms:	3-methyl-2-pyridinecarboxylic acid ethyl ester; ethyl 3-methylpyridine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-methylpyridine-2-carboxylate
Description:	Ethyl 3-Methylpyridine-2-carboxylate (CAS# 58997-10-7) is a useful research chemical.
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	CCOC(=O)C1=C(C=CC=N1)C
InChI:	InChI=1S/C9H11NO2/c1-3-12-9(11)8-7(2)5-4-6-10-8/h4-6H,3H2,1-2H3
InChI Key:	VKKVFRWNHZHHQU-UHFFFAOYSA-N
Boiling Point:	257.939 °C at 760 mmHg
Density:	1.077 g/cm³
LogP:	1.56670

Publication Number	Title	Priority Date
EP-3487498-A1	Heteroaryl compounds as inhibitors of necrosis, composition and application thereof	20160722
JP-2019521994-A	Heteroaryl compounds that are necrosis inhibitors, compositions and uses thereof	20160722
KR-20190028546-A	Heteroaryl compounds as inhibitors of necrosis, compositions thereof and uses thereof	20160722
US-2019284180-A1	Heteroaryl compounds as inhibitors of necrosis, composition and application thereof	20160722
WO-2018017435-A1	Heteroaryl compounds as inhibitors of necrosis, composition and application thereof	20160722

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Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.078978594
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.078978594
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8