3-Methyl-4-pyridinecarbonyl Chloride - CAS 64915-79-3

Catalog:	BB076073
Product Name:	3-Methyl-4-pyridinecarbonyl Chloride
CAS:	64915-79-3
Synonyms:	3-Methylisonicotinoyl Chloride; 3-Methylpyridine-4-carbonyl Chloride

Technical Data

IUPAC Name:	3-methylpyridine-4-carbonyl chloride
Description:	3-Methyl-4-pyridinecarbonyl chloride is used as a reagent to synthesize azaindenoisoquinoline compounds, which have anticancer properties through the inhibition of topoisomerase I. 3-Methyl-4-pyridinecarbonyl chloride is also used as a reagent to prepare (1,2,4)Triazolo[4,3-a]quinoxaline derivatives, compounds that have phosphodiesterase inhibition properties in order to treat patients with CNS disorders.
Molecular Weight:	155.58
Molecular Formula:	C7H6ClNO
Canonical SMILES:	CC1=C(C=CN=C1)C(=O)Cl
InChI:	InChI=1S/C7H6ClNO/c1-5-4-9-3-2-6(5)7(8)10/h2-4H,1H3
InChI Key:	KSDVVNBPDOBZTI-UHFFFAOYSA-N
References:	Lankau, H., et al. Preparation of (1,2,4)Triazolo[4,3-a]quinoxaline Derivatives as Inhibitors of Phosphodiesterases for Treating CNS Disorders and Other Diseases. US Patent 20120302564, Nov 29, 2012; Cushman, M., et al. Preparation of Azaindenoisoquinoline Topoisomerase I Inhibitors Useful in the Treatment of Cancer. US Patent 20140018360, Jan 16, 2014..

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.0137915
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	155.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	30Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7