2-(6-Bromopyridin-2-yl)benzonitrile

HCID 22180785

Notes Reactions

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Basic information

CAS: 463335-82-2
Standard SMILES: N#Cc1ccccc1-c1cccc(Br)n1
InChIKey: PGIIHMMVDLGRKC-UHFFFAOYSA-N
Molecular formula: C12H7BrN2
Average molar mass: 259.1 g/mol
Monoisotopic mass: 257.97926032

Names & identifiers

Preferred name: 2-(6-Bromopyridin-2-yl)benzonitrile
IUPAC: 2-(6-bromo-2-pyridinyl)benzonitrile

Names & synonyms

2-(6-bromopyridin-2-yl)benzonitrile463335-82-2Benzonitrile, 2-(6-bromo-2-pyridinyl)-SCHEMBL2649479DTXSID20623311PGIIHMMVDLGRKC-UHFFFAOYSA-NCS-41392DA-05679

Database identifiers

CAS: 463335-82-2
PubChem CID: 22180785
DTXSID: DTXSID20623311

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 258

Related reactions

7 records

New reaction record

HRID 175558As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1061829As productuspto-grants-2005_11

HRID 1061830As reactantuspto-grants-2005_11

HRID 1136110As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1796041As productuspto-grants-2006_04

HRID 1796042As reactantuspto-grants-2006_04

HRID 2128888As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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