5-fluoro-2-pyridin-3-ylbenzoyl chloride

C12H7ClFNO — CID 46315579

IUPAC5-fluoro-2-pyridin-3-ylbenzoyl chloride
SMILESO=C(Cl)c1cc(F)ccc1-c1cccnc1
InChIInChI=1S/C12H7ClFNO/c13-12(16)11-6-9(14)3-4-10(11)8-2-1-5-15-7-8/h1-7H
InChIKeyAXPZMKBVBYBVNY-UHFFFAOYSA-N
MW235.65 g/mol
LogP3.27
Rot. Bonds2

About 5-fluoro-2-pyridin-3-ylbenzoyl chloride

5-fluoro-2-pyridin-3-ylbenzoyl chloride (PubChem CID 46315579) has the molecular formula C12H7ClFNO and a molecular weight of 235.65 g/mol. Its IUPAC name is 5-fluoro-2-pyridin-3-ylbenzoyl chloride.

Molecular Properties

Compound Name5-fluoro-2-pyridin-3-ylbenzoyl chloride
PubChem CID46315579
Molecular FormulaC12H7ClFNO
Molecular Weight235.65 g/mol
Exact Mass235.02
IUPAC Name5-fluoro-2-pyridin-3-ylbenzoyl chloride
SMILESO=C(Cl)c1cc(F)ccc1-c1cccnc1
InChIInChI=1S/C12H7ClFNO/c13-12(16)11-6-9(14)3-4-10(11)8-2-1-5-15-7-8/h1-7H
InChIKeyAXPZMKBVBYBVNY-UHFFFAOYSA-N
XLogP3.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 53.27
H-Bond Donors ≤ 50
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-pyridin-3-ylbenzoyl chloride?
The IUPAC name of 5-fluoro-2-pyridin-3-ylbenzoyl chloride (CID 46315579) is 5-fluoro-2-pyridin-3-ylbenzoyl chloride.
What is the SMILES notation for 5-fluoro-2-pyridin-3-ylbenzoyl chloride?
The canonical SMILES for 5-fluoro-2-pyridin-3-ylbenzoyl chloride is O=C(Cl)c1cc(F)ccc1-c1cccnc1.
What is the InChIKey of 5-fluoro-2-pyridin-3-ylbenzoyl chloride?
The InChIKey is AXPZMKBVBYBVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO/c13-12(16)11-6-9(14)3-4-10(11)8-2-1-5-15-7-8/h1-7H.
What are the key properties of 5-fluoro-2-pyridin-3-ylbenzoyl chloride?
5-fluoro-2-pyridin-3-ylbenzoyl chloride has a molecular weight of 235.65 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pyridin-3-ylbenzoyl chloride is sourced from PubChem (CID 46315579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).