5-Bromo-2-pyridinecarbonitrile - CAS 97483-77-7

Catalog:	BB042056
Product Name:	5-Bromo-2-pyridinecarbonitrile
CAS:	97483-77-7
Synonyms:	5-bromopyridine-2-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromopyridine-2-carbonitrile
Description:	5-Bromo-2-pyridinecarbonitrile (CAS# 97483-77-7) is a compound useful in organic synthesis.
Molecular Weight:	183.01
Molecular Formula:	C6H3BrN2
Canonical SMILES:	C1=CC(=NC=C1Br)C#N
InChI:	InChI=1S/C6H3BrN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H
InChI Key:	DMSHUVBQFSNBBL-UHFFFAOYSA-N
Boiling Point:	260.3 °C at 760 mmHg
Purity:	97.0 %
Density:	1.72 g/cm³
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00234144
LogP:	1.71578

Publication Number	Title	Priority Date
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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

Pyridines

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[76167-49-2]
2-(Pyridin-3-yloxy)aniline
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol

GHS Hazard Statement:	H301 (89.13%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.94796
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.94796
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6