2-(Trifluoromethyl)pyridine-4-methanol - CAS 131747-61-0

Catalog:	BB007485
Product Name:	2-(Trifluoromethyl)pyridine-4-methanol
CAS:	131747-61-0
Synonyms:	[2-(trifluoromethyl)-4-pyridinyl]methanol; [2-(trifluoromethyl)pyridin-4-yl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[2-(trifluoromethyl)pyridin-4-yl]methanol
Description:	2-(Trifluoromethyl)pyridine-4-methanol (CAS# 131747-61-0 ) is a useful research chemical.
Molecular Weight:	177.12
Molecular Formula:	C7H6F3NO
Canonical SMILES:	C1=CN=C(C=C1CO)C(F)(F)F
InChI:	InChI=1S/C7H6F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h1-3,12H,4H2
InChI Key:	UOQWDROTEICSEX-UHFFFAOYSA-N
Boiling Point:	212.6 °C at 760 mmHg
Density:	1.362 g/cm³
Storage:	Inert atmosphere, Room Temperature
LogP:	1.59270

Publication Number	Title	Priority Date
US-2021188868-A1	Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof	20180522
WO-2019196918-A1	Five-membered heterocyclo-pyrimidine compound, pharmaceutical composition and use thereof	20180413
US-2020239438-A1	Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof	20170822
US-10689354-B2	Aminoazole derivative	20151211
US-2019031628-A1	Aminoazole derivative	20151211

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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:	148
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:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9