2-Hydroxy-4-methylpyridine - CAS 13466-41-6

Name: 2-Hydroxy-4-methylpyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	4-methyl-1H-pyridin-2-one
Description:	2-Hydroxy-4-methylpyridine (CAS# 13466-41-6) is an intermediate used to prepare oxobenzopyrancarboxylate derivatives as inhibitors of serine proteases and human leukocyte elastase. It is also used in the synthesis of (indanylamino)(pyridinyloxy)pyrazines and analogs as corticotropin releasing factor type-1 receptor antagonists.
Molecular Weight:	109.13
Molecular Formula:	C6H7NO
Canonical SMILES:	CC1=CC(=O)NC=C1
InChI:	InChI=1S/C6H7NO/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
InChI Key:	YBDRFJXGJQULGH-UHFFFAOYSA-N
Boiling Point:	186 °C (12 torr)
Density:	1.212 g/cm³
Appearance:	Off-white to light brown crystalline powder
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00134298
LogP:	1.09560

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
19835416	20091124	Herpes simplex virus-1 DNA primase: a remarkably inaccurate yet selective polymerase	Biochemistry
19578263	20090701	Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds	Acta crystallographica. Section C, Crystal structure communications
16451185	20060101	Aerobic biodegradation of 4-methylpyridine and 4-ethylpyridine by newly isolated Pseudonocardia sp. strain M43	FEMS microbiology letters
16212358	20051017	Polymer building blocks: self-assembly of silver(I) cyclotriphosphazene cationic columns	Inorganic chemistry

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.052763847
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	109.052763847
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1