2-(2-phenylpyrimidin-4-yl)benzonitrile

C17H11N3 — CID 21476415

IUPAC2-(2-phenylpyrimidin-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C17H11N3/c18-12-14-8-4-5-9-15(14)16-10-11-19-17(20-16)13-6-2-1-3-7-13/h1-11H
InChIKeyCVRCSIFEGRGPPS-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.68
Rot. Bonds2

About 2-(2-phenylpyrimidin-4-yl)benzonitrile

2-(2-phenylpyrimidin-4-yl)benzonitrile (PubChem CID 21476415) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(2-phenylpyrimidin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-phenylpyrimidin-4-yl)benzonitrile
PubChem CID21476415
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name2-(2-phenylpyrimidin-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C17H11N3/c18-12-14-8-4-5-9-15(14)16-10-11-19-17(20-16)13-6-2-1-3-7-13/h1-11H
InChIKeyCVRCSIFEGRGPPS-UHFFFAOYSA-N
XLogP3.68
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpyrimidin-4-yl)benzonitrile?
The IUPAC name of 2-(2-phenylpyrimidin-4-yl)benzonitrile (CID 21476415) is 2-(2-phenylpyrimidin-4-yl)benzonitrile.
What is the SMILES notation for 2-(2-phenylpyrimidin-4-yl)benzonitrile?
The canonical SMILES for 2-(2-phenylpyrimidin-4-yl)benzonitrile is N#Cc1ccccc1-c1ccnc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-phenylpyrimidin-4-yl)benzonitrile?
The InChIKey is CVRCSIFEGRGPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c18-12-14-8-4-5-9-15(14)16-10-11-19-17(20-16)13-6-2-1-3-7-13/h1-11H.
What are the key properties of 2-(2-phenylpyrimidin-4-yl)benzonitrile?
2-(2-phenylpyrimidin-4-yl)benzonitrile has a molecular weight of 257.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpyrimidin-4-yl)benzonitrile is sourced from PubChem (CID 21476415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).