Ethyl 2-Methylisonicotinate - CAS 25635-17-0

Catalog:	BB018979
Product Name:	Ethyl 2-Methylisonicotinate
CAS:	25635-17-0
Synonyms:	2-methyl-4-pyridinecarboxylic acid ethyl ester; ethyl 2-methylpyridine-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-methylpyridine-4-carboxylate
Description:	Ethyl 2-Methylisonicotinate (CAS# 25635-17-0) is a useful research chemical.
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	CCOC(=O)C1=CC(=NC=C1)C
InChI:	InChI=1S/C9H11NO2/c1-3-12-9(11)8-4-5-10-7(2)6-8/h4-6H,3H2,1-2H3
InChI Key:	WOMYMRWGDVTGQI-UHFFFAOYSA-N
MDL:	MFCD09746244
LogP:	1.56670

Publication Number	Title	Priority Date
WO-2021158948-A1	Quinuclidinone analogues as anticancer agents	20200209
US-2021120817-A1	Plant disease control agent	20170317
KR-20170083134-A	Substituted bridged urea analogs as sirtuin modulators	20141119
JP-6609253-B2	Cyanothiophene derivatives	20140806
JP-WO2016021562-A1	Cyanothiophene derivatives	20140806

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3