4-(4-benzyl-2-pyridinyl)benzonitrile

C19H14N2 — CID 162708682

IUPAC4-(4-benzyl-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2cc(Cc3ccccc3)ccn2)cc1
InChIInChI=1S/C19H14N2/c20-14-16-6-8-18(9-7-16)19-13-17(10-11-21-19)12-15-4-2-1-3-5-15/h1-11,13H,12H2
InChIKeyXOYNTDCGQUMUGU-UHFFFAOYSA-N
MW270.34 g/mol
LogP4.21
Rot. Bonds3

About 4-(4-benzyl-2-pyridinyl)benzonitrile

4-(4-benzyl-2-pyridinyl)benzonitrile (PubChem CID 162708682) has the molecular formula C19H14N2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(4-benzyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4-(4-benzyl-2-pyridinyl)benzonitrile
PubChem CID162708682
Molecular FormulaC19H14N2
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC Name4-(4-benzyl-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2cc(Cc3ccccc3)ccn2)cc1
InChIInChI=1S/C19H14N2/c20-14-16-6-8-18(9-7-16)19-13-17(10-11-21-19)12-15-4-2-1-3-5-15/h1-11,13H,12H2
InChIKeyXOYNTDCGQUMUGU-UHFFFAOYSA-N
XLogP4.21
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-2-pyridinyl)benzonitrile?
The IUPAC name of 4-(4-benzyl-2-pyridinyl)benzonitrile (CID 162708682) is 4-(4-benzyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 4-(4-benzyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 4-(4-benzyl-2-pyridinyl)benzonitrile is N#Cc1ccc(-c2cc(Cc3ccccc3)ccn2)cc1.
What is the InChIKey of 4-(4-benzyl-2-pyridinyl)benzonitrile?
The InChIKey is XOYNTDCGQUMUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c20-14-16-6-8-18(9-7-16)19-13-17(10-11-21-19)12-15-4-2-1-3-5-15/h1-11,13H,12H2.
What are the key properties of 4-(4-benzyl-2-pyridinyl)benzonitrile?
4-(4-benzyl-2-pyridinyl)benzonitrile has a molecular weight of 270.34 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 162708682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).