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 ℃ 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

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

Pyridines

[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[4926-28-7]
2-Bromo-4-methylpyridine
[1122-43-6]
3-Hydroxy-2,6-dimethylpyridine
[2241983-13-9]
5-[(8S,9S,13S,14S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-yl]pyridine-2-D

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