2-(Hydroxymethyl)-5-(trifluoromethyl)pyridine - CAS 31181-84-7

Catalog:	BB020824
Product Name:	2-(Hydroxymethyl)-5-(trifluoromethyl)pyridine
CAS:	31181-84-7
Synonyms:	[5-(trifluoromethyl)-2-pyridinyl]methanol; [5-(trifluoromethyl)pyridin-2-yl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[5-(trifluoromethyl)pyridin-2-yl]methanol
Description:	2-(Hydroxymethyl)-5-(trifluoromethyl)pyridine (CAS# 31181-84-7) is a useful research chemical.
Molecular Weight:	177.12
Molecular Formula:	C7H6F3NO
Canonical SMILES:	C1=CC(=NC=C1C(F)(F)F)CO
InChI:	InChI=1S/C7H6F3NO/c8-7(9,10)5-1-2-6(4-12)11-3-5/h1-3,12H,4H2
InChI Key:	GVAFEGOUIQFLQH-UHFFFAOYSA-N
Boiling Point:	215.5 °C at 760 mmHg
Density:	1.362 g/cm³
Appearance:	Yellow to brown sticky oil to semi solid
MDL:	MFCD04117762
LogP:	1.59270

Publication Number	Title	Priority Date
CN-111170932-A	Preparation method of 2-aminomethyl-5-trifluoromethyl pyridine salt	20200113
WO-2021069927-A1	Prostaglandin ep4 receptor antagonist compounds	20191009
US-2020407327-A1	Tead inhibitors and uses thereof	20190531
WO-2020243415-A2	Tead inhibitors and uses thereof	20190531
WO-2020243423-A1	Tead inhibitors and uses thereof	20190531

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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