5-Bromo-2-fluoropyridine - CAS 766-11-0

Catalog:	BB035632
Product Name:	5-Bromo-2-fluoropyridine
CAS:	766-11-0
Synonyms:	5-bromo-2-fluoropyridine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-fluoropyridine
Description:	5-Bromo-2-fluoropyridine (CAS# 766-11-0) is used in the synthesis of heteroaromatic and aniline derivatives of piperidines as potent ligands used for vesicular acetylcholine transport. Also used in the synthesis of benzofurano[3,2-d]pyrimidin-2-one derived inhbitors.
Molecular Weight:	175.99
Molecular Formula:	C5H3BrFN
Canonical SMILES:	C1=CC(=NC=C1Br)F
InChI:	InChI=1S/C5H3BrFN/c6-4-1-2-5(7)8-3-4/h1-3H
InChI Key:	MYUQKYGWKHTRPG-UHFFFAOYSA-N
Boiling Point:	170-173 °C
Purity:	98 %
Density:	1.71 g/cm³
MDL:	MFCD01863742
LogP:	1.98320

Publication Number	Title	Priority Date
CN-113354575-A	Synthesis method of terbinafine	20210607
CN-113336697-A	CDK9 inhibiting compound and application thereof	20210604
CN-113321650-A	3-substituent-5- (substituted aryl) -7-azaindole derivative and application thereof	20210520
CN-112939750-A	Method for transferring asymmetric functionalization by nickel-hydrogen catalysis olefin promoted by ligand relay strategy	20210204
CN-112575044-A	Method for preparing CDK4/6 inhibitor key intermediate by chemical-enzymatic method	20201229

PMID	Publication Date	Title	Journal
16671674	20060511	Electronic spectra of hydrogen-bonded 2-fluoropyridine clusters with water in a supersonic free jet	The journal of physical chemistry. A
12688820	20030418	Versatile synthesis of 3,5-disubstituted 2-fluoropyridines and 2-pyridones	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, 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:	2