2-phenylpyrimidine-5-carbonitrile

C11H7N3 — CID 14004394

IUPAC2-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C11H7N3/c12-6-9-7-13-11(14-8-9)10-4-2-1-3-5-10/h1-5,7-8H
InChIKeyOZDRGIMFRMFITG-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.02
Rot. Bonds1

About 2-phenylpyrimidine-5-carbonitrile

2-phenylpyrimidine-5-carbonitrile (PubChem CID 14004394) has the molecular formula C11H7N3 and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-phenylpyrimidine-5-carbonitrile
PubChem CID14004394
Molecular FormulaC11H7N3
Molecular Weight181.20 g/mol
Exact Mass181.06
IUPAC Name2-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C11H7N3/c12-6-9-7-13-11(14-8-9)10-4-2-1-3-5-10/h1-5,7-8H
InChIKeyOZDRGIMFRMFITG-UHFFFAOYSA-N
XLogP2.02
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-phenylpyrimidine-5-carbonitrile (CID 14004394) is 2-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-phenylpyrimidine-5-carbonitrile is N#Cc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2-phenylpyrimidine-5-carbonitrile?
The InChIKey is OZDRGIMFRMFITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3/c12-6-9-7-13-11(14-8-9)10-4-2-1-3-5-10/h1-5,7-8H.
What are the key properties of 2-phenylpyrimidine-5-carbonitrile?
2-phenylpyrimidine-5-carbonitrile has a molecular weight of 181.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 14004394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).