3-Hydroxy-5-(trifluoromethyl)pyridine - CAS 186593-14-6

Catalog:	BB014346
Product Name:	3-Hydroxy-5-(trifluoromethyl)pyridine
CAS:	186593-14-6
Synonyms:	5-(trifluoromethyl)-3-pyridinol; 5-(trifluoromethyl)pyridin-3-ol

Technical Data

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Computed Properties

IUPAC Name:	5-(trifluoromethyl)pyridin-3-ol
Description:	3-Hydroxy-5-(trifluoromethyl)pyridine (CAS# 186593-14-6) is used in preparation of tricyclic dihydroimidazopyrimidone derivative as as lipoprotein-associated phospholipase A2 inhibitor.
Molecular Weight:	163.10
Molecular Formula:	C6H4F3NO
Canonical SMILES:	C1=C(C=NC=C1O)C(F)(F)F
InChI:	InChI=1S/C6H4F3NO/c7-6(8,9)4-1-5(11)3-10-2-4/h1-3,11H
InChI Key:	YUUZFMWMDPHTQS-UHFFFAOYSA-N
MDL:	MFCD10697687
LogP:	1.80600

Publication Number	Title	Priority Date
WO-2020162471-A1	Pyridone derivative	20190208
TW-202010744-A	Pteridinone compounds and uses thereof	20180424
US-2019322673-A1	Pteridinone compounds and uses thereof	20180424
WO-2019209757-A1	Pteridinone compounds and uses thereof	20180424
AU-2019257651-A1	Pteridinone compounds and uses thereof	20180424

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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:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.02449824
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.02449824
Rotatable Bond Count:	0
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4