4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride

C6H4ClNO3 — CID 119091526

IUPAC4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c(=O)cc1O
InChIInChI=1S/C6H4ClNO3/c7-6(11)3-2-8-5(10)1-4(3)9/h1-2H,(H2,8,9,10)
InChIKeyWURRVCNEYJUADX-UHFFFAOYSA-N
MW173.56 g/mol
LogP0.46
Rot. Bonds1

About 4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride

4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 119091526) has the molecular formula C6H4ClNO3 and a molecular weight of 173.56 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID119091526
Molecular FormulaC6H4ClNO3
Molecular Weight173.56 g/mol
Exact Mass172.99
IUPAC Name4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c(=O)cc1O
InChIInChI=1S/C6H4ClNO3/c7-6(11)3-2-8-5(10)1-4(3)9/h1-2H,(H2,8,9,10)
InChIKeyWURRVCNEYJUADX-UHFFFAOYSA-N
XLogP0.46
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride (CID 119091526) is 4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c[nH]c(=O)cc1O.
What is the InChIKey of 4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is WURRVCNEYJUADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO3/c7-6(11)3-2-8-5(10)1-4(3)9/h1-2H,(H2,8,9,10).
What are the key properties of 4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride?
4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 173.56 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 119091526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).