2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile

C13H9BrN2 — CID 14337904

IUPAC2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile
SMILESN#CC(c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C13H9BrN2/c14-11-6-4-10(5-7-11)12(9-15)13-3-1-2-8-16-13/h1-8,12H
InChIKeyPMKCUNAECONNCQ-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.50
Rot. Bonds2

About 2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile

2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile (PubChem CID 14337904) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile
PubChem CID14337904
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile
SMILESN#CC(c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C13H9BrN2/c14-11-6-4-10(5-7-11)12(9-15)13-3-1-2-8-16-13/h1-8,12H
InChIKeyPMKCUNAECONNCQ-UHFFFAOYSA-N
XLogP3.50
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile?
The IUPAC name of 2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile (CID 14337904) is 2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile.
What is the SMILES notation for 2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile?
The canonical SMILES for 2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile is N#CC(c1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of 2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile?
The InChIKey is PMKCUNAECONNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-11-6-4-10(5-7-11)12(9-15)13-3-1-2-8-16-13/h1-8,12H.
What are the key properties of 2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile?
2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile has a molecular weight of 273.13 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-pyridin-2-ylacetonitrile is sourced from PubChem (CID 14337904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).