2-(Bromomethyl)-6-(trifluoromethyl)pyridine - CAS 781637-62-5

Catalog:	BB036121
Product Name:	2-(Bromomethyl)-6-(trifluoromethyl)pyridine
CAS:	781637-62-5
Synonyms:	2-(bromomethyl)-6-(trifluoromethyl)pyridine; 2-(bromomethyl)-6-(trifluoromethyl)pyridine

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Computed Properties

IUPAC Name:	2-(bromomethyl)-6-(trifluoromethyl)pyridine
Description:	2-(Bromomethyl)-6-(trifluoromethyl)pyridine (CAS# 781637-62-5) is a useful research chemical.
Molecular Weight:	240.02
Molecular Formula:	C7H5BrF3N
Canonical SMILES:	C1=CC(=NC(=C1)C(F)(F)F)CBr
InChI:	InChI=1S/C7H5BrF3N/c8-4-5-2-1-3-6(12-5)7(9,10)11/h1-3H,4H2
InChI Key:	OQCJTIRYBJPXHK-UHFFFAOYSA-N
LogP:	2.99530

Publication Number	Title	Priority Date
JP-2021138690-A	Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof	20200228
WO-2020054670-A1	Novel heteroaromatic amide derivative and medicine containing same	20180910
JP-WO2020054670-A1	New heteroaromatic amide derivatives and pharmaceuticals containing them	20180910
AU-2016351813-A1	Dihydroimidazopyrazinone derivatives useful in the treatment of cancer	20151109
AU-2016351813-B2	Dihydroimidazopyrazinone derivatives useful in the treatment of cancer	20151109

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.95575
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.95575
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4