5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C9H8N2O3 — CID 803059

IUPAC5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C=O)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C9H8N2O3/c1-5-6(3-10)8(13)11(2)9(14)7(5)4-12/h4,14H,1-2H3
InChIKeyYERDGBGLFIQWHA-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.08
Rot. Bonds1

About 5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 803059) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID803059
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C=O)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C9H8N2O3/c1-5-6(3-10)8(13)11(2)9(14)7(5)4-12/h4,14H,1-2H3
InChIKeyYERDGBGLFIQWHA-UHFFFAOYSA-N
XLogP0.08
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 803059) is 5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C=O)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is YERDGBGLFIQWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-5-6(3-10)8(13)11(2)9(14)7(5)4-12/h4,14H,1-2H3.
What are the key properties of 5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 192.17 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 803059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).