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

C13H10N2O2 — CID 72711415

IUPAC4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(Cc2ccccc2)cc(=O)[nH]c1O
InChIInChI=1S/C13H10N2O2/c14-8-11-10(7-12(16)15-13(11)17)6-9-4-2-1-3-5-9/h1-5,7H,6H2,(H2,15,16,17)
InChIKeyDVZCBUDCDLDNNP-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.54
Rot. Bonds2

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

4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 72711415) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID72711415
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(Cc2ccccc2)cc(=O)[nH]c1O
InChIInChI=1S/C13H10N2O2/c14-8-11-10(7-12(16)15-13(11)17)6-9-4-2-1-3-5-9/h1-5,7H,6H2,(H2,15,16,17)
InChIKeyDVZCBUDCDLDNNP-UHFFFAOYSA-N
XLogP1.54
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (CID 72711415) is 4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(Cc2ccccc2)cc(=O)[nH]c1O.
What is the InChIKey of 4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DVZCBUDCDLDNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-8-11-10(7-12(16)15-13(11)17)6-9-4-2-1-3-5-9/h1-5,7H,6H2,(H2,15,16,17).
What are the key properties of 4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 72711415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).