3-[2-(4-bromophenyl)phenyl]propanenitrile

C15H12BrN — CID 22565261

IUPAC3-[2-(4-bromophenyl)phenyl]propanenitrile
SMILESN#CCCc1ccccc1-c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN/c16-14-9-7-13(8-10-14)15-6-2-1-4-12(15)5-3-11-17/h1-2,4,6-10H,3,5H2
InChIKeyYSXJQGLYDIUORN-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.57
Rot. Bonds3

About 3-[2-(4-bromophenyl)phenyl]propanenitrile

3-[2-(4-bromophenyl)phenyl]propanenitrile (PubChem CID 22565261) has the molecular formula C15H12BrN and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)phenyl]propanenitrile.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)phenyl]propanenitrile
PubChem CID22565261
Molecular FormulaC15H12BrN
Molecular Weight286.17 g/mol
Exact Mass285.02
IUPAC Name3-[2-(4-bromophenyl)phenyl]propanenitrile
SMILESN#CCCc1ccccc1-c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN/c16-14-9-7-13(8-10-14)15-6-2-1-4-12(15)5-3-11-17/h1-2,4,6-10H,3,5H2
InChIKeyYSXJQGLYDIUORN-UHFFFAOYSA-N
XLogP4.57
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)phenyl]propanenitrile?
The IUPAC name of 3-[2-(4-bromophenyl)phenyl]propanenitrile (CID 22565261) is 3-[2-(4-bromophenyl)phenyl]propanenitrile.
What is the SMILES notation for 3-[2-(4-bromophenyl)phenyl]propanenitrile?
The canonical SMILES for 3-[2-(4-bromophenyl)phenyl]propanenitrile is N#CCCc1ccccc1-c1ccc(Br)cc1.
What is the InChIKey of 3-[2-(4-bromophenyl)phenyl]propanenitrile?
The InChIKey is YSXJQGLYDIUORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN/c16-14-9-7-13(8-10-14)15-6-2-1-4-12(15)5-3-11-17/h1-2,4,6-10H,3,5H2.
What are the key properties of 3-[2-(4-bromophenyl)phenyl]propanenitrile?
3-[2-(4-bromophenyl)phenyl]propanenitrile has a molecular weight of 286.17 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)phenyl]propanenitrile is sourced from PubChem (CID 22565261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).