5-Hydroxymethyl-2-methylpyridine - CAS 34107-46-5

Catalog:	BB021966
Product Name:	5-Hydroxymethyl-2-methylpyridine
CAS:	34107-46-5
Synonyms:	(6-methylpyridin-3-yl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(6-methylpyridin-3-yl)methanol
Description:	5-Hydroxymethyl-2-methylpyridine (CAS# 34107-46-5) is a reactant used in the preparation of pioglitazone (P471000) metabolites.
Molecular Weight:	123.15
Molecular Formula:	C7H9NO
Canonical SMILES:	CC1=NC=C(C=C1)CO
InChI:	InChI=1S/C7H9NO/c1-6-2-3-7(5-9)4-8-6/h2-4,9H,5H2,1H3
InChI Key:	DJCJOWDAAZEMCI-UHFFFAOYSA-N
Boiling Point:	238.2 °C at 760 mmHg
Purity:	95 %
Density:	1.092 g/cm³
MDL:	MFCD08692003
LogP:	0.88230

Publication Number	Title	Priority Date
WO-2021202796-A1	Pyrrolidine-pyrazoles as pyruvate kinase activators	20200401
WO-2021122415-A1	Furoindazole derivatives	20191219
WO-2021110656-A1	Oga inhibitor compounds	20191202
WO-2021083380-A1	Eed inhibitor, and preparation method therefor and use thereof	20191101
WO-2021071832-A1	Aryl heterobicyclic compounds as kv1.3 potassium shaker channel blockers	20191007

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[2122800-15-9]
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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.068413911
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	123.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4