2-(2-acetylphenyl)pyridine-4-carbonitrile

C14H10N2O — CID 39782180

IUPAC2-(2-acetylphenyl)pyridine-4-carbonitrile
SMILESCC(=O)c1ccccc1-c1cc(C#N)ccn1
InChIInChI=1S/C14H10N2O/c1-10(17)12-4-2-3-5-13(12)14-8-11(9-15)6-7-16-14/h2-8H,1H3
InChIKeyRZUNOKFGNPSCTN-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.82
Rot. Bonds2

About 2-(2-acetylphenyl)pyridine-4-carbonitrile

2-(2-acetylphenyl)pyridine-4-carbonitrile (PubChem CID 39782180) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(2-acetylphenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-acetylphenyl)pyridine-4-carbonitrile
PubChem CID39782180
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name2-(2-acetylphenyl)pyridine-4-carbonitrile
SMILESCC(=O)c1ccccc1-c1cc(C#N)ccn1
InChIInChI=1S/C14H10N2O/c1-10(17)12-4-2-3-5-13(12)14-8-11(9-15)6-7-16-14/h2-8H,1H3
InChIKeyRZUNOKFGNPSCTN-UHFFFAOYSA-N
XLogP2.82
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-acetylphenyl)pyridine-4-carbonitrile (CID 39782180) is 2-(2-acetylphenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-acetylphenyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-acetylphenyl)pyridine-4-carbonitrile is CC(=O)c1ccccc1-c1cc(C#N)ccn1.
What is the InChIKey of 2-(2-acetylphenyl)pyridine-4-carbonitrile?
The InChIKey is RZUNOKFGNPSCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-10(17)12-4-2-3-5-13(12)14-8-11(9-15)6-7-16-14/h2-8H,1H3.
What are the key properties of 2-(2-acetylphenyl)pyridine-4-carbonitrile?
2-(2-acetylphenyl)pyridine-4-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 39782180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).