alpha-(Trifluoromethyl)pyridine-4-methanol - CAS 394203-58-8

Catalog:	BB023969
Product Name:	alpha-(Trifluoromethyl)pyridine-4-methanol
CAS:	394203-58-8
Synonyms:	2,2,2-trifluoro-1-pyridin-4-ylethanol; 2,2,2-trifluoro-1-pyridin-4-ylethanol

Technical Data

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Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-pyridin-4-ylethanol
Description:	alpha-(Trifluoromethyl)pyridine-4-methanol (CAS# 394203-58-8) is a useful research chemical.
Molecular Weight:	177.12
Molecular Formula:	C7H6F3NO
Canonical SMILES:	C1=CN=CC=C1C(C(F)(F)F)O
InChI:	InChI=1S/C7H6F3NO/c8-7(9,10)6(12)5-1-3-11-4-2-5/h1-4,6,12H
InChI Key:	HWFCWJQZKAGODL-UHFFFAOYSA-N
LogP:	1.67730

Publication Number	Title	Priority Date
JP-2018002698-A	Method for producing alcohol containing trifluoromethyl group	20160628
JP-6763747-B2	Method for Producing Trifluoromethyl Group-Containing Alcohols	20160628
WO-2015069593-A1	Substituted pyridine derivatives useful as gsk-3 inhibitors	20131106
AU-2014334616-A1	Quinolinyl modulators of RORyt	20131015
JP-2014091691-A	Process for producing trifluoromethyl group-containing compound	20121102

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.04014830
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.04014830
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1