2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile

C20H13N3 — CID 15079840

IUPAC2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile
SMILESN#Cc1ccc(C(c2cccnc2)c2ccccc2C#N)cc1
InChIInChI=1S/C20H13N3/c21-12-15-7-9-16(10-8-15)20(18-5-3-11-23-14-18)19-6-2-1-4-17(19)13-22/h1-11,14,20H
InChIKeyOIWRGXBNXJOQEW-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.01
Rot. Bonds3

About 2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile

2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile (PubChem CID 15079840) has the molecular formula C20H13N3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile.

Molecular Properties

Compound Name2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile
PubChem CID15079840
Molecular FormulaC20H13N3
Molecular Weight295.35 g/mol
Exact Mass295.11
IUPAC Name2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile
SMILESN#Cc1ccc(C(c2cccnc2)c2ccccc2C#N)cc1
InChIInChI=1S/C20H13N3/c21-12-15-7-9-16(10-8-15)20(18-5-3-11-23-14-18)19-6-2-1-4-17(19)13-22/h1-11,14,20H
InChIKeyOIWRGXBNXJOQEW-UHFFFAOYSA-N
XLogP4.01
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile?
The IUPAC name of 2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile (CID 15079840) is 2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile.
What is the SMILES notation for 2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile?
The canonical SMILES for 2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile is N#Cc1ccc(C(c2cccnc2)c2ccccc2C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile?
The InChIKey is OIWRGXBNXJOQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3/c21-12-15-7-9-16(10-8-15)20(18-5-3-11-23-14-18)19-6-2-1-4-17(19)13-22/h1-11,14,20H.
What are the key properties of 2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile?
2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile has a molecular weight of 295.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile is sourced from PubChem (CID 15079840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).