2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile

C8H10N2O2 — CID 57161474

IUPAC2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile
SMILESCC1=CC(O)N(C)C(=O)C1C#N
InChIInChI=1S/C8H10N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3,6-7,11H,1-2H3
InChIKeyGEGZBMSPYPPZKN-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.14
Rot. Bonds

About 2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile

2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile (PubChem CID 57161474) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile
PubChem CID57161474
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile
SMILESCC1=CC(O)N(C)C(=O)C1C#N
InChIInChI=1S/C8H10N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3,6-7,11H,1-2H3
InChIKeyGEGZBMSPYPPZKN-UHFFFAOYSA-N
XLogP-0.14
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-2-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-5-carbonitrile
CID 24870098
1-Ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one
CID 56625241
1-Hexyl-2-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-5-carbonitrile
CID 57115823
1-[3-(Dimethylamino)propyl]-2-hydroxy-4,5-dimethyl-6-oxo-2,5-dihydropyridine-3-carbonitrile
CID 90932462
2-Hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-3-carbonitrile
CID 91416215
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]butanenitrile
CID 114409982

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile?
The IUPAC name of 2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile (CID 57161474) is 2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile?
The canonical SMILES for 2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile is CC1=CC(O)N(C)C(=O)C1C#N.
What is the InChIKey of 2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile?
The InChIKey is GEGZBMSPYPPZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3,6-7,11H,1-2H3.
What are the key properties of 2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile?
2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile has a molecular weight of 166.18 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 57161474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).