3-Bromo-4-fluoropyridine - CAS 116922-60-2

Catalog:	BB003820
Product Name:	3-Bromo-4-fluoropyridine
CAS:	116922-60-2
Synonyms:	3-bromo-4-fluoropyridine; 3-bromo-4-fluoropyridine

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-4-fluoropyridine
Description:	3-Bromo-4-fluoropyridine (CAS# 116922-60-2) is a useful research chemical.
Molecular Weight:	175.99
Molecular Formula:	C5H3BrFN
Canonical SMILES:	C1=CN=CC(=C1F)Br
InChI:	InChI=1S/C5H3BrFN/c6-4-3-8-2-1-5(4)7/h1-3H
InChI Key:	PKYADCLPLQPPKK-UHFFFAOYSA-N
Boiling Point:	168.8 °C at 760 mmHg
Density:	1.707 g/cm³
MDL:	MFCD04114101
LogP:	1.98320

Publication Number	Title	Priority Date
WO-2020249773-A1	Next-generation modulators of stimulator of interferon genes (sting)	20190612
EP-3581570-A1	Carbazole-pyridine-trifluoromethylphenyl derivatives and related compounds for use as tadf luminescent emitters in oleds	20180615
EP-3581570-B1	Carbazole-pyridine-trifluoromethylphenyl derivatives and related compounds for use as tadf luminescent emitters in oleds	20180615
WO-2019224006-A1	Carbazole-pyridine-cyanophenyl derivatives and related compounds for use as luminescent emitters in oleds	20180522
EP-3797102-A1	Carbazole-pyridine-cyanophenyl derivatives and related compounds for use as luminescent emitters in oleds	20180522

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501
Signal Word:	Warning

Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.94329
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.94329
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6