4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile

C13H10N2O — CID 69489200

IUPAC4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(=O)[nH]cc2C#N)cc1
InChIInChI=1S/C13H10N2O/c1-9-2-4-10(5-3-9)12-6-13(16)15-8-11(12)7-14/h2-6,8H,1H3,(H,15,16)
InChIKeyIEQNKKLJOMNSCO-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.22
Rot. Bonds1

About 4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile

4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 69489200) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID69489200
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(=O)[nH]cc2C#N)cc1
InChIInChI=1S/C13H10N2O/c1-9-2-4-10(5-3-9)12-6-13(16)15-8-11(12)7-14/h2-6,8H,1H3,(H,15,16)
InChIKeyIEQNKKLJOMNSCO-UHFFFAOYSA-N
XLogP2.22
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile (CID 69489200) is 4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(=O)[nH]cc2C#N)cc1.
What is the InChIKey of 4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is IEQNKKLJOMNSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-9-2-4-10(5-3-9)12-6-13(16)15-8-11(12)7-14/h2-6,8H,1H3,(H,15,16).
What are the key properties of 4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile?
4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 69489200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).