2-Bromo-3-fluoropyridine - CAS 40273-45-8

Catalog:	BB024412
Product Name:	2-Bromo-3-fluoropyridine
CAS:	40273-45-8
Synonyms:	Pyridine, 2-bromo-3-fluoro-; 3-Fluoro-2-bromopyridine

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-3-fluoropyridine
Molecular Weight:	175.99
Molecular Formula:	C5H3BrFN
Canonical SMILES:	C1=CC(=C(N=C1)Br)F
InChI:	InChI=1S/C5H3BrFN/c6-5-4(7)2-1-3-8-5/h1-3H
InChI Key:	IFGLECYAEGYLSJ-UHFFFAOYSA-N
Boiling Point:	173.2±20.0°C at 760 mmHg
Purity:	≥95%
Density:	1.707±0.06 g/cm3
Appearance:	Colorless to Light Yellow to Light Orange Clear Liquid
Storage:	Store at RT
MDL:	MFCD04114128
LogP:	1.98320

Publication Number	Title	Priority Date
CN-111978245-A	Preparation method of 3-fluoro-2-isobutyl pyridine	20200915
EP-3901155-A1	New benzodiazepine derivatives as gaba a gamma1 pam	20200420
WO-2021173917-A1	Inhibitors of receptor interacting protein kinase i for the treatment of disease	20200228
WO-2021156439-A1	Triazole compounds as adenosine receptor antagonists	20200206
CN-112608320-A	Piperidine compound and preparation method and medical application thereof	20200116

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GHS Hazard Statement:	H301 (10.87%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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:	2