5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride

C6H3ClFNO2 — CID 171547663

IUPAC5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(F)c[nH]c1=O
InChIInChI=1S/C6H3ClFNO2/c7-5(10)4-1-3(8)2-9-6(4)11/h1-2H,(H,9,11)
InChIKeyJVNHBOCVPJPICT-UHFFFAOYSA-N
MW175.55 g/mol
LogP0.89
Rot. Bonds1

About 5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride

5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 171547663) has the molecular formula C6H3ClFNO2 and a molecular weight of 175.55 g/mol. Its IUPAC name is 5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID171547663
Molecular FormulaC6H3ClFNO2
Molecular Weight175.55 g/mol
Exact Mass174.98
IUPAC Name5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(F)c[nH]c1=O
InChIInChI=1S/C6H3ClFNO2/c7-5(10)4-1-3(8)2-9-6(4)11/h1-2H,(H,9,11)
InChIKeyJVNHBOCVPJPICT-UHFFFAOYSA-N
XLogP0.89
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.55
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride (CID 171547663) is 5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1cc(F)c[nH]c1=O.
What is the InChIKey of 5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is JVNHBOCVPJPICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFNO2/c7-5(10)4-1-3(8)2-9-6(4)11/h1-2H,(H,9,11).
What are the key properties of 5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride?
5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 175.55 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 171547663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).