6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C13H10N2O2 — CID 2767147

IUPAC6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)c(=O)[nH]2)c1
InChIInChI=1S/C13H10N2O2/c1-17-11-4-2-3-9(7-11)12-6-5-10(8-14)13(16)15-12/h2-7H,1H3,(H,15,16)
InChIKeyXTPHTAULHCTSQU-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.92
Rot. Bonds2

About 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 2767147) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID2767147
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)c(=O)[nH]2)c1
InChIInChI=1S/C13H10N2O2/c1-17-11-4-2-3-9(7-11)12-6-5-10(8-14)13(16)15-12/h2-7H,1H3,(H,15,16)
InChIKeyXTPHTAULHCTSQU-UHFFFAOYSA-N
XLogP1.92
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 2767147) is 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1cccc(-c2ccc(C#N)c(=O)[nH]2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is XTPHTAULHCTSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-17-11-4-2-3-9(7-11)12-6-5-10(8-14)13(16)15-12/h2-7H,1H3,(H,15,16).
What are the key properties of 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 226.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2767147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).