2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride

C6H3Cl2FN2O2 — CID 88672387

IUPAC2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride
SMILESO=C(Cl)Cn1ncc(F)c(Cl)c1=O
InChIInChI=1S/C6H3Cl2FN2O2/c7-4(12)2-11-6(13)5(8)3(9)1-10-11/h1H,2H2
InChIKeySVTQLZYYOWKULY-UHFFFAOYSA-N
MW225.01 g/mol
LogP0.80
Rot. Bonds2

About 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride

2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride (PubChem CID 88672387) has the molecular formula C6H3Cl2FN2O2 and a molecular weight of 225.01 g/mol. Its IUPAC name is 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride.

Molecular Properties

Compound Name2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride
PubChem CID88672387
Molecular FormulaC6H3Cl2FN2O2
Molecular Weight225.01 g/mol
Exact Mass223.96
IUPAC Name2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride
SMILESO=C(Cl)Cn1ncc(F)c(Cl)c1=O
InChIInChI=1S/C6H3Cl2FN2O2/c7-4(12)2-11-6(13)5(8)3(9)1-10-11/h1H,2H2
InChIKeySVTQLZYYOWKULY-UHFFFAOYSA-N
XLogP0.80
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.01
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride?
The IUPAC name of 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride (CID 88672387) is 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride.
What is the SMILES notation for 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride?
The canonical SMILES for 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride is O=C(Cl)Cn1ncc(F)c(Cl)c1=O.
What is the InChIKey of 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride?
The InChIKey is SVTQLZYYOWKULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FN2O2/c7-4(12)2-11-6(13)5(8)3(9)1-10-11/h1H,2H2.
What are the key properties of 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride?
2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride has a molecular weight of 225.01 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetyl chloride is sourced from PubChem (CID 88672387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).