3-bromo-4-phenylpyridine-2-carbonitrile

C12H7BrN2 — CID 130138671

IUPAC3-bromo-4-phenylpyridine-2-carbonitrile
SMILESN#Cc1nccc(-c2ccccc2)c1Br
InChIInChI=1S/C12H7BrN2/c13-12-10(6-7-15-11(12)8-14)9-4-2-1-3-5-9/h1-7H
InChIKeyOIGIVIZQMVAARI-UHFFFAOYSA-N
MW259.11 g/mol
LogP3.38
Rot. Bonds1

About 3-bromo-4-phenylpyridine-2-carbonitrile

3-bromo-4-phenylpyridine-2-carbonitrile (PubChem CID 130138671) has the molecular formula C12H7BrN2 and a molecular weight of 259.11 g/mol. Its IUPAC name is 3-bromo-4-phenylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-4-phenylpyridine-2-carbonitrile
PubChem CID130138671
Molecular FormulaC12H7BrN2
Molecular Weight259.11 g/mol
Exact Mass257.98
IUPAC Name3-bromo-4-phenylpyridine-2-carbonitrile
SMILESN#Cc1nccc(-c2ccccc2)c1Br
InChIInChI=1S/C12H7BrN2/c13-12-10(6-7-15-11(12)8-14)9-4-2-1-3-5-9/h1-7H
InChIKeyOIGIVIZQMVAARI-UHFFFAOYSA-N
XLogP3.38
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-phenylpyridine-2-carbonitrile?
The IUPAC name of 3-bromo-4-phenylpyridine-2-carbonitrile (CID 130138671) is 3-bromo-4-phenylpyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-4-phenylpyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-4-phenylpyridine-2-carbonitrile is N#Cc1nccc(-c2ccccc2)c1Br.
What is the InChIKey of 3-bromo-4-phenylpyridine-2-carbonitrile?
The InChIKey is OIGIVIZQMVAARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2/c13-12-10(6-7-15-11(12)8-14)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 3-bromo-4-phenylpyridine-2-carbonitrile?
3-bromo-4-phenylpyridine-2-carbonitrile has a molecular weight of 259.11 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-phenylpyridine-2-carbonitrile is sourced from PubChem (CID 130138671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).