6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile

C15H13N3O2 — CID 5127810

IUPAC6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccccc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H13N3O2/c1-10-12(8-16)14(19)18(2)15(20)13(10)9-17-11-6-4-3-5-7-11/h3-7,9,20H,1-2H3/b17-9+
InChIKeyTXHUFSYXFKXPAX-RQZCQDPDSA-N
MW267.29 g/mol
LogP2.02
Rot. Bonds2

About 6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile

6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile (PubChem CID 5127810) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile
PubChem CID5127810
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccccc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H13N3O2/c1-10-12(8-16)14(19)18(2)15(20)13(10)9-17-11-6-4-3-5-7-11/h3-7,9,20H,1-2H3/b17-9+
InChIKeyTXHUFSYXFKXPAX-RQZCQDPDSA-N
XLogP2.02
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile (CID 5127810) is 6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile is Cc1c(/C=N/c2ccccc2)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile?
The InChIKey is TXHUFSYXFKXPAX-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-12(8-16)14(19)18(2)15(20)13(10)9-17-11-6-4-3-5-7-11/h3-7,9,20H,1-2H3/b17-9+.
What are the key properties of 6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile?
6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile has a molecular weight of 267.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5127810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).