5-iodo-2-oxo-1H-pyridine-3-carbonitrile

C6H3IN2O — CID 45480261

IUPAC5-iodo-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(I)c[nH]c1=O
InChIInChI=1S/C6H3IN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,(H,9,10)
InChIKeyDHNUUSNUUZTHEN-UHFFFAOYSA-N
MW246.01 g/mol
LogP0.85
Rot. Bonds

About 5-iodo-2-oxo-1H-pyridine-3-carbonitrile

5-iodo-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 45480261) has the molecular formula C6H3IN2O and a molecular weight of 246.01 g/mol. Its IUPAC name is 5-iodo-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-iodo-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID45480261
Molecular FormulaC6H3IN2O
Molecular Weight246.01 g/mol
Exact Mass245.93
IUPAC Name5-iodo-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(I)c[nH]c1=O
InChIInChI=1S/C6H3IN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,(H,9,10)
InChIKeyDHNUUSNUUZTHEN-UHFFFAOYSA-N
XLogP0.85
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.01
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-iodo-2-oxo-1H-pyridine-3-carbonitrile (CID 45480261) is 5-iodo-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-iodo-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-iodo-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1cc(I)c[nH]c1=O.
What is the InChIKey of 5-iodo-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DHNUUSNUUZTHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3IN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,(H,9,10).
What are the key properties of 5-iodo-2-oxo-1H-pyridine-3-carbonitrile?
5-iodo-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 246.01 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 45480261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).