3-Bromo-5-(trifluoromethyl)pyridine - CAS 436799-33-6

Catalog:	BB025445
Product Name:	3-Bromo-5-(trifluoromethyl)pyridine
CAS:	436799-33-6
Synonyms:	3-bromo-5-(trifluoromethyl)pyridine

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-5-(trifluoromethyl)pyridine
Description:	3-Bromo-5-(trifluoromethyl)pyridine (CAS# 436799-33-6) is a useful research chemical.
Molecular Weight:	225.99
Molecular Formula:	C6H3BrF3N
Canonical SMILES:	C1=C(C=NC=C1Br)C(F)(F)F
InChI:	InChI=1S/C6H3BrF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-3H
InChI Key:	HEDHNDVPKRVQPN-UHFFFAOYSA-N
Boiling Point:	62 °C
Density:	1.707 g/cm³
MDL:	MFCD04972700
LogP:	2.86290

Publication Number	Title	Priority Date
CN-113429388-A	Blue thermal activity delayed fluorescent material based on trifluoromethyl pyridine derivative receptor and application thereof	20210628
CN-112079826-A	Steroid synthetase inhibitor and treatment application thereof	20200917
WO-2021116446-A1	Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting)	20191211
WO-2021116451-A1	Heterocyclic compounds as modulators of stimulator of interferon genes (sting)	20191211
WO-2021099527-A1	Pyrrolidine derivatives	20191122

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GHS Hazard Statement:	H300 (81.25%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.94010
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.94010
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4