6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C9H10N2O3 — CID 14708077

IUPAC6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(CO)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C9H10N2O3/c1-5-6(3-10)8(13)11(2)9(14)7(5)4-12/h12,14H,4H2,1-2H3
InChIKeyMWMPZZGZXGLCIO-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.24
Rot. Bonds1

About 6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile

6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 14708077) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID14708077
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(CO)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C9H10N2O3/c1-5-6(3-10)8(13)11(2)9(14)7(5)4-12/h12,14H,4H2,1-2H3
InChIKeyMWMPZZGZXGLCIO-UHFFFAOYSA-N
XLogP-0.24
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-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-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 14708077) is 6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(CO)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is MWMPZZGZXGLCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-5-6(3-10)8(13)11(2)9(14)7(5)4-12/h12,14H,4H2,1-2H3.
What are the key properties of 6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 194.19 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(hydroxymethyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 14708077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).