Methyl 5-(Methylsulfonyl)nicotinate - CAS 1186663-66-0

Catalog:	BB004227
Product Name:	Methyl 5-(Methylsulfonyl)nicotinate
CAS:	1186663-66-0
Synonyms:	5-methylsulfonyl-3-pyridinecarboxylic acid methyl ester; methyl 5-methylsulfonylpyridine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-methylsulfonylpyridine-3-carboxylate
Description:	Methyl 5-(Methylsulfonyl)nicotinate (CAS# 1186663-66-0) is a useful research chemical.
Molecular Weight:	215.23
Molecular Formula:	C8H9NO4S
Canonical SMILES:	COC(=O)C1=CC(=CN=C1)S(=O)(=O)C
InChI:	InChI=1S/C8H9NO4S/c1-13-8(10)6-3-7(5-9-4-6)14(2,11)12/h3-5H,1-2H3
InChI Key:	KZKQGUVWZYKJBN-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	1.35250

Publication Number	Title	Priority Date
AU-2014281398-A1	Substituted (E)-N'-(1-phenylethylidene) benzohydrazide analogs as histone demethylase inhibitors	20130619
AU-2014281398-B2	Substituted (E)-N'-(1-phenylethylidene) benzohydrazide analogs as histone demethylase inhibitors	20130619
CA-2915817-A1	Substituted (e)-n'-(1-phenylethylidene) benzohydrazide analogs as histone demethylase inhibitors	20130619
EP-3010915-A1	Substituted (e)-n'-(1-phenylethylidene) benzohydrazide analogs as histone demethylase inhibitors	20130619
EP-3010915-B1	Substituted (3-(5-chloro-2-hydroxyphenyl)-1-benzoyl-1h-pyrazole compounds as histone demethylase inhibitors	20130619

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Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.02522894
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.02522894
Rotatable Bond Count:	3
Topological Polar Surface Area:	81.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1