4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride

C6H3ClINO2 — CID 77230170

IUPAC4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(I)cc[nH]c1=O
InChIInChI=1S/C6H3ClINO2/c7-5(10)4-3(8)1-2-9-6(4)11/h1-2H,(H,9,11)
InChIKeyJRHRMPCSNQMTJL-UHFFFAOYSA-N
MW283.45 g/mol
LogP1.36
Rot. Bonds1

About 4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride

4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 77230170) has the molecular formula C6H3ClINO2 and a molecular weight of 283.45 g/mol. Its IUPAC name is 4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID77230170
Molecular FormulaC6H3ClINO2
Molecular Weight283.45 g/mol
Exact Mass282.89
IUPAC Name4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(I)cc[nH]c1=O
InChIInChI=1S/C6H3ClINO2/c7-5(10)4-3(8)1-2-9-6(4)11/h1-2H,(H,9,11)
InChIKeyJRHRMPCSNQMTJL-UHFFFAOYSA-N
XLogP1.36
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride (CID 77230170) is 4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c(I)cc[nH]c1=O.
What is the InChIKey of 4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is JRHRMPCSNQMTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClINO2/c7-5(10)4-3(8)1-2-9-6(4)11/h1-2H,(H,9,11).
What are the key properties of 4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride?
4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 283.45 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 77230170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).