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

C14H12N4O4 — CID 159463245

IUPAC2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(=O)[nH]c(O)c1C#N.Cc1cc(=O)[nH]c(O)c1C#N
InChIInChI=1S/2C7H6N2O2/c2*1-4-2-6(10)9-7(11)5(4)3-8/h2*2H,1H3,(H2,9,10,11)
InChIKeyLUVVHCQIIDAMOK-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.52
Rot. Bonds

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

2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 159463245) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID159463245
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(=O)[nH]c(O)c1C#N.Cc1cc(=O)[nH]c(O)c1C#N
InChIInChI=1S/2C7H6N2O2/c2*1-4-2-6(10)9-7(11)5(4)3-8/h2*2H,1H3,(H2,9,10,11)
InChIKeyLUVVHCQIIDAMOK-UHFFFAOYSA-N
XLogP0.52
TPSA153.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile
CID 121227406
3-cyano-4-methyl-6-oxo-1H-pyridine-2-thiolate
CID 3667173
2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
CID 72711414
4-methyl-2-methylsulfanyl-6-oxo-1H-pyridine-3-carbonitrile
CID 2726104
2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile
CID 593433
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 116862156
2-(2-aminoethylsulfanyl)-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 82507869
4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862222
4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862220
4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 13403846
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 11679891
2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile
CID 116862188

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile (CID 159463245) is 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile is Cc1cc(=O)[nH]c(O)c1C#N.Cc1cc(=O)[nH]c(O)c1C#N.
What is the InChIKey of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is LUVVHCQIIDAMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2O2/c2*1-4-2-6(10)9-7(11)5(4)3-8/h2*2H,1H3,(H2,9,10,11).
What are the key properties of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile?
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 300.27 g/mol, XLogP of 0.52, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 159463245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).