3-Bromo-2-methoxy-5-(trifluoromethyl)pyridine - CAS 124432-63-9

Catalog:	BB005891
Product Name:	3-Bromo-2-methoxy-5-(trifluoromethyl)pyridine
CAS:	124432-63-9
Synonyms:	3-bromo-2-methoxy-5-(trifluoromethyl)pyridine; 3-bromo-2-methoxy-5-(trifluoromethyl)pyridine

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-bromo-2-methoxy-5-(trifluoromethyl)pyridine
Description:	3-Bromo-2-methoxy-5-(trifluoromethyl)pyridine (CAS# 124432-63-9) is a useful research chemical.
Molecular Weight:	256.02
Molecular Formula:	C7H5BrF3NO
Canonical SMILES:	COC1=C(C=C(C=N1)C(F)(F)F)Br
InChI:	InChI=1S/C7H5BrF3NO/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3
InChI Key:	YUDYUCKEWCVXTE-UHFFFAOYSA-N
Boiling Point:	196.5 °C at 760 mmHg
Density:	1.637 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	2.87150

Publication Number	Title	Priority Date
EP-3825303-A1	T-type calcium channel blocker	20180717
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WO-2019053634-A1	MODULATORS OF THE TRANSMEMBRANE CONDUCTANCE REGULATORY PROTEIN OF CYSTIC FIBROSIS AND METHODS OF USE	20170914

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.95066
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	254.95066
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7