5-fluoro-6-iodopyridine-3-carbonyl chloride

C6H2ClFINO — CID 130981108

IUPAC5-fluoro-6-iodopyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc(I)c(F)c1
InChIInChI=1S/C6H2ClFINO/c7-5(11)3-1-4(8)6(9)10-2-3/h1-2H
InChIKeyJMBINXORIOUYQC-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.20
Rot. Bonds1

About 5-fluoro-6-iodopyridine-3-carbonyl chloride

5-fluoro-6-iodopyridine-3-carbonyl chloride (PubChem CID 130981108) has the molecular formula C6H2ClFINO and a molecular weight of 285.44 g/mol. Its IUPAC name is 5-fluoro-6-iodopyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-fluoro-6-iodopyridine-3-carbonyl chloride
PubChem CID130981108
Molecular FormulaC6H2ClFINO
Molecular Weight285.44 g/mol
Exact Mass284.89
IUPAC Name5-fluoro-6-iodopyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc(I)c(F)c1
InChIInChI=1S/C6H2ClFINO/c7-5(11)3-1-4(8)6(9)10-2-3/h1-2H
InChIKeyJMBINXORIOUYQC-UHFFFAOYSA-N
XLogP2.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 5-fluoro-6-iodopyridine-3-carbonyl chloride?
The IUPAC name of 5-fluoro-6-iodopyridine-3-carbonyl chloride (CID 130981108) is 5-fluoro-6-iodopyridine-3-carbonyl chloride.
What is the SMILES notation for 5-fluoro-6-iodopyridine-3-carbonyl chloride?
The canonical SMILES for 5-fluoro-6-iodopyridine-3-carbonyl chloride is O=C(Cl)c1cnc(I)c(F)c1.
What is the InChIKey of 5-fluoro-6-iodopyridine-3-carbonyl chloride?
The InChIKey is JMBINXORIOUYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClFINO/c7-5(11)3-1-4(8)6(9)10-2-3/h1-2H.
What are the key properties of 5-fluoro-6-iodopyridine-3-carbonyl chloride?
5-fluoro-6-iodopyridine-3-carbonyl chloride has a molecular weight of 285.44 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-iodopyridine-3-carbonyl chloride is sourced from PubChem (CID 130981108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).