4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C13H8I2N2O2 — CID 168584564

IUPAC4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(I)cc(I)c2O)c(C#N)c(=O)[nH]1
InChIInChI=1S/C13H8I2N2O2/c1-6-2-8(10(5-16)13(19)17-6)9-3-7(14)4-11(15)12(9)18/h2-4,18H,1H3,(H,17,19)
InChIKeyMEIIRRXQPDGYOE-UHFFFAOYSA-N
MW478.03 g/mol
LogP3.14
Rot. Bonds1

About 4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168584564) has the molecular formula C13H8I2N2O2 and a molecular weight of 478.03 g/mol. Its IUPAC name is 4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168584564
Molecular FormulaC13H8I2N2O2
Molecular Weight478.03 g/mol
Exact Mass477.87
IUPAC Name4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(I)cc(I)c2O)c(C#N)c(=O)[nH]1
InChIInChI=1S/C13H8I2N2O2/c1-6-2-8(10(5-16)13(19)17-6)9-3-7(14)4-11(15)12(9)18/h2-4,18H,1H3,(H,17,19)
InChIKeyMEIIRRXQPDGYOE-UHFFFAOYSA-N
XLogP3.14
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.03
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585362
4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584611
4-[4-iodo-2-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585845
4-(5-bromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584607
4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584615
4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-iodobenzoic acid
CID 168585426
4-[2-hydroxy-5-(hydroxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586527
4-(2-bromo-4-fluoro-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587182
4-[2-iodo-6-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585839
4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586093
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
4-(5-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584801

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168584564) is 4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cc(I)cc(I)c2O)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MEIIRRXQPDGYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8I2N2O2/c1-6-2-8(10(5-16)13(19)17-6)9-3-7(14)4-11(15)12(9)18/h2-4,18H,1H3,(H,17,19).
What are the key properties of 4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 478.03 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168584564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).