CAS 1093879-77-6 1-(6-Bromopyridin-2-YL)cyclopropanecarbonitrile (HCID 59525675)

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Basic information

CAS: 1093879-77-6
Standard SMILES: N#CC1(c2cccc(Br)n2)CC1
InChIKey: UNCKVSPYCDOOSJ-UHFFFAOYSA-N
Molecular formula: C9H7BrN2
Average molar mass: 223.07 g/mol
Monoisotopic mass: 221.97926032

Names & identifiers

Preferred name: 1-(6-Bromopyridin-2-YL)cyclopropanecarbonitrile
IUPAC: 1-(6-bromo-2-pyridinyl)cyclopropane-1-carbonitrile
English name: 1-(6-bromopyridin-2-yl)cyclopropanecarbonitrile
Molecular formula: C9H7BrN2
Molecular weight: 223.07

Names & synonyms

1093879-77-61-(6-BROMOPYRIDIN-2-YL)CYCLOPROPANECARBONITRILE1-(6-bromopyridin-2-yl)cyclopropane-1-carbonitrile1-(6-bromo-2-pyridyl)cyclopropanecarbonitrileMFCD225481751-(6-Bromo-2-pyridinyl)cyclopropanecarbonitrileSCHEMBL3508269SCHEMBL30405117UNCKVSPYCDOOSJ-UHFFFAOYSA-NDTXSID601243299TTB87977AKOS027253519

Show more names

Cyclopropanecarbonitrile, 1-(6-bromo-2-pyridinyl)-

AB85295AS-43104DA-15662SY259177CS-0310182EN300-1897820F473118

Database identifiers

CAS: 1093879-77-6
PubChem CID: 59525675
DTXSID: DTXSID601243299

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 226

Physicochemical properties

Boiling point: 369.8 · 369.8±37.0 °C(Predicted)
Density: 1.62 · 1.62±0.1 g/cm3(Predicted)
pka: 1.35 · 1.35±0.19(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501