1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile

C13H10N2O — CID 1479104

IUPAC1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile
SMILESCn1cc(-c2ccccc2)cc(C#N)c1=O
InChIInChI=1S/C13H10N2O/c1-15-9-12(7-11(8-14)13(15)16)10-5-3-2-4-6-10/h2-7,9H,1H3
InChIKeyQDJMBXOGLZMLJK-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.92
Rot. Bonds1

About 1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile

1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile (PubChem CID 1479104) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile
PubChem CID1479104
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile
SMILESCn1cc(-c2ccccc2)cc(C#N)c1=O
InChIInChI=1S/C13H10N2O/c1-15-9-12(7-11(8-14)13(15)16)10-5-3-2-4-6-10/h2-7,9H,1H3
InChIKeyQDJMBXOGLZMLJK-UHFFFAOYSA-N
XLogP1.92
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile (CID 1479104) is 1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile is Cn1cc(-c2ccccc2)cc(C#N)c1=O.
What is the InChIKey of 1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile?
The InChIKey is QDJMBXOGLZMLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-15-9-12(7-11(8-14)13(15)16)10-5-3-2-4-6-10/h2-7,9H,1H3.
What are the key properties of 1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile?
1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1479104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).