2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile

C8H5N3O2 — CID 11679891

IUPAC2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1c(C#N)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C8H5N3O2/c1-4-5(2-9)7(12)11-8(13)6(4)3-10/h1H3,(H2,11,12,13)
InChIKeyJORIKSMPOBCKMP-UHFFFAOYSA-N
MW175.15 g/mol
LogP0.13
Rot. Bonds

About 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 11679891) has the molecular formula C8H5N3O2 and a molecular weight of 175.15 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID11679891
Molecular FormulaC8H5N3O2
Molecular Weight175.15 g/mol
Exact Mass175.04
IUPAC Name2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1c(C#N)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C8H5N3O2/c1-4-5(2-9)7(12)11-8(13)6(4)3-10/h1H3,(H2,11,12,13)
InChIKeyJORIKSMPOBCKMP-UHFFFAOYSA-N
XLogP0.13
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 11679891) is 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile is Cc1c(C#N)c(O)[nH]c(=O)c1C#N.
What is the InChIKey of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is JORIKSMPOBCKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2/c1-4-5(2-9)7(12)11-8(13)6(4)3-10/h1H3,(H2,11,12,13).
What are the key properties of 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 175.15 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11679891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).