2-(Bromomethyl)-6-fluoropyridine - CAS 100202-78-6

Catalog:	BB000127
Product Name:	2-(Bromomethyl)-6-fluoropyridine
CAS:	100202-78-6
Synonyms:	2-(bromomethyl)-6-fluoropyridine; 2-(bromomethyl)-6-fluoropyridine

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Computed Properties

IUPAC Name:	2-(bromomethyl)-6-fluoropyridine
Description:	2-(Bromomethyl)-6-fluoropyridine (CAS# 100202-78-6) is a useful research chemical.
Molecular Weight:	190.01
Molecular Formula:	C6H5BrFN
Canonical SMILES:	C1=CC(=NC(=C1)F)CBr
InChI:	InChI=1S/C6H5BrFN/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2
InChI Key:	ADYKBYXVMBDQQX-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.11560

Publication Number	Title	Priority Date
WO-2019205147-A1	Amino acetamide compound containing benzo oxygen-containing aliphatic ring structure and use thereof	20180428
CN-112041296-A	Aminoacetamides containing benzo-oxy-alicyclic structure and use thereof	20180428
DE-102017125533-A1	4- (Furan-2-yl) -1H-pyrazolo [3,4-d] pyrimidin-6-amine derivatives and their use	20171031
WO-2019086074-A1	4-(furan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-6-amine derivative and use thereof	20171031
AU-2018277958-A1	6h-thieno(2,3-e)(1,2,4)triazolo(3,4-c)(1,2,4)triazepine derivative	20170531

PMID	Publication Date	Title	Journal
14966993	20040223	Easy preparation of the tris(2-fluoro-6-pyridylmethyl)amine ligand and instantaneous reaction of the corresponding dichloroferrous complex with molecular dioxygen: new access to dinuclear species	Inorganic chemistry

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GHS Hazard Statement:	H302 (100%): 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, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	89.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.95894
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.95894
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9