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

C7H3N3O2 — CID 121227406

IUPAC2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile
SMILESN#Cc1cc(=O)[nH]c(O)c1C#N
InChIInChI=1S/C7H3N3O2/c8-2-4-1-6(11)10-7(12)5(4)3-9/h1H,(H2,10,11,12)
InChIKeyUYKJJJJSIXUMQY-UHFFFAOYSA-N
MW161.12 g/mol
LogP-0.18
Rot. Bonds

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

2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile (PubChem CID 121227406) has the molecular formula C7H3N3O2 and a molecular weight of 161.12 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile
PubChem CID121227406
Molecular FormulaC7H3N3O2
Molecular Weight161.12 g/mol
Exact Mass161.02
IUPAC Name2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile
SMILESN#Cc1cc(=O)[nH]c(O)c1C#N
InChIInChI=1S/C7H3N3O2/c8-2-4-1-6(11)10-7(12)5(4)3-9/h1H,(H2,10,11,12)
InChIKeyUYKJJJJSIXUMQY-UHFFFAOYSA-N
XLogP-0.18
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.12
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 159463245
2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
CID 72711414
3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130100027
4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862220
4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862222
4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 13403846
2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile
CID 116862188
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 116862156
4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862206
4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862217
2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
CID 116862160
2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 116862214

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile?
The IUPAC name of 2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile (CID 121227406) is 2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile is N#Cc1cc(=O)[nH]c(O)c1C#N.
What is the InChIKey of 2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile?
The InChIKey is UYKJJJJSIXUMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N3O2/c8-2-4-1-6(11)10-7(12)5(4)3-9/h1H,(H2,10,11,12).
What are the key properties of 2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile?
2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile has a molecular weight of 161.12 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile is sourced from PubChem (CID 121227406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).