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

C8H8N2O2 — CID 18398305

IUPAC4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cc(=O)[nH]c(O)c1C#N
InChIInChI=1S/C8H8N2O2/c1-2-5-3-7(11)10-8(12)6(5)4-9/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyWQMPZIYHTPLJJD-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.51
Rot. Bonds1

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

4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 18398305) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID18398305
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cc(=O)[nH]c(O)c1C#N
InChIInChI=1S/C8H8N2O2/c1-2-5-3-7(11)10-8(12)6(5)4-9/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyWQMPZIYHTPLJJD-UHFFFAOYSA-N
XLogP0.51
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-hydroxy-6-oxo-1H-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

Related Compounds

3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CID 79516
5-Ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 642674
2,6-Dihydroxy-4-propylnicotinonitrile
CID 60133165
2,6-Dihydroxy-4-(propan-2-YL)pyridine-3-carbonitrile
CID 72711414
4-(1,1-difluoropropyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 68948996
4-(2-fluoropropan-2-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 57845135
3-Cyano-4-(difluoromethyl)-2,6-dihydroxypyridine
CID 68951267
4-(1-fluoropropyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 91280671
4-(Fluoromethyl)-2,6-dihydroxynicotinonitrile
CID 171788176
2,6-Dihydroxy-3-vinyl-4-methylpyridine
CID 13310393
3-Cyano-6-hydroxy-4-methyl-2-pyridone dimethyl sulfoxide monosolvate
CID 139061923
3-Cyano-6-hydroxy-4-methyl-2-pyridone N,N-dimethylacetamide monosolvate
CID 139061924

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (CID 18398305) is 4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is CCc1cc(=O)[nH]c(O)c1C#N.
What is the InChIKey of 4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is WQMPZIYHTPLJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-2-5-3-7(11)10-8(12)6(5)4-9/h3H,2H2,1H3,(H2,10,11,12).
What are the key properties of 4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 164.16 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 18398305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).