4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile

C13H10N2O2 — CID 134852331

IUPAC4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile
SMILESCOc1ccn(-c2ccccc2)c(=O)c1C#N
InChIInChI=1S/C13H10N2O2/c1-17-12-7-8-15(13(16)11(12)9-14)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyIONRWLBGNWTZFR-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.72
Rot. Bonds2

About 4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile

4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile (PubChem CID 134852331) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile
PubChem CID134852331
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile
SMILESCOc1ccn(-c2ccccc2)c(=O)c1C#N
InChIInChI=1S/C13H10N2O2/c1-17-12-7-8-15(13(16)11(12)9-14)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyIONRWLBGNWTZFR-UHFFFAOYSA-N
XLogP1.72
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile (CID 134852331) is 4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile is COc1ccn(-c2ccccc2)c(=O)c1C#N.
What is the InChIKey of 4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile?
The InChIKey is IONRWLBGNWTZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-17-12-7-8-15(13(16)11(12)9-14)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile?
4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 134852331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).