5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile

C14H12N2O2 — CID 54694333

IUPAC5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(Cc2ccccc2)c(O)c1C#N
InChIInChI=1S/C14H12N2O2/c1-9-12(8-15)13(17)11(14(18)16-9)7-10-5-3-2-4-6-10/h2-6H,7H2,1H3,(H2,16,17,18)
InChIKeyKPJTZMHWXTULSD-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.85
Rot. Bonds2

About 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile

5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 54694333) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID54694333
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(Cc2ccccc2)c(O)c1C#N
InChIInChI=1S/C14H12N2O2/c1-9-12(8-15)13(17)11(14(18)16-9)7-10-5-3-2-4-6-10/h2-6H,7H2,1H3,(H2,16,17,18)
InChIKeyKPJTZMHWXTULSD-UHFFFAOYSA-N
XLogP1.85
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile (CID 54694333) is 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(Cc2ccccc2)c(O)c1C#N.
What is the InChIKey of 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is KPJTZMHWXTULSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-12(8-15)13(17)11(14(18)16-9)7-10-5-3-2-4-6-10/h2-6H,7H2,1H3,(H2,16,17,18).
What are the key properties of 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 54694333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).