3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile

C13H10N2O2 — CID 23243369

IUPAC3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile
SMILESCn1c(-c2c(O)cccc2C#N)cccc1=O
InChIInChI=1S/C13H10N2O2/c1-15-10(5-3-7-12(15)17)13-9(8-14)4-2-6-11(13)16/h2-7,16H,1H3
InChIKeyILHGKRDNTQSAEN-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.63
Rot. Bonds1

About 3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile

3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile (PubChem CID 23243369) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile
PubChem CID23243369
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile
SMILESCn1c(-c2c(O)cccc2C#N)cccc1=O
InChIInChI=1S/C13H10N2O2/c1-15-10(5-3-7-12(15)17)13-9(8-14)4-2-6-11(13)16/h2-7,16H,1H3
InChIKeyILHGKRDNTQSAEN-UHFFFAOYSA-N
XLogP1.63
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile?
The IUPAC name of 3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile (CID 23243369) is 3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile.
What is the SMILES notation for 3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile?
The canonical SMILES for 3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile is Cn1c(-c2c(O)cccc2C#N)cccc1=O.
What is the InChIKey of 3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile?
The InChIKey is ILHGKRDNTQSAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-15-10(5-3-7-12(15)17)13-9(8-14)4-2-6-11(13)16/h2-7,16H,1H3.
What are the key properties of 3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile?
3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile has a molecular weight of 226.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1-methyl-6-oxo-2-pyridinyl)benzonitrile is sourced from PubChem (CID 23243369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).