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

C12H7ClFNO — CID 46315592

IUPAC2-fluoro-5-pyridin-3-ylbenzoyl chloride
SMILESO=C(Cl)c1cc(-c2cccnc2)ccc1F
InChIInChI=1S/C12H7ClFNO/c13-12(16)10-6-8(3-4-11(10)14)9-2-1-5-15-7-9/h1-7H
InChIKeyDZDARMBZJUFNAP-UHFFFAOYSA-N
MW235.65 g/mol
LogP3.27
Rot. Bonds2

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

2-fluoro-5-pyridin-3-ylbenzoyl chloride (PubChem CID 46315592) has the molecular formula C12H7ClFNO and a molecular weight of 235.65 g/mol. Its IUPAC name is 2-fluoro-5-pyridin-3-ylbenzoyl chloride.

Molecular Properties

Compound Name2-fluoro-5-pyridin-3-ylbenzoyl chloride
PubChem CID46315592
Molecular FormulaC12H7ClFNO
Molecular Weight235.65 g/mol
Exact Mass235.02
IUPAC Name2-fluoro-5-pyridin-3-ylbenzoyl chloride
SMILESO=C(Cl)c1cc(-c2cccnc2)ccc1F
InChIInChI=1S/C12H7ClFNO/c13-12(16)10-6-8(3-4-11(10)14)9-2-1-5-15-7-9/h1-7H
InChIKeyDZDARMBZJUFNAP-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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Related Compounds

2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
5-fluoro-2-pyridin-3-ylbenzoyl chloride
CID 46315579
2-fluoro-5-(4-fluorophenyl)benzoyl chloride
CID 46312387
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
1-(2-hydroxy-5-pyridin-3-ylphenyl)ethanone
CID 148842399
3-(6-chloronaphthalen-2-yl)pyridine
CID 173397093
5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride
CID 118806458
3-(4-fluoro-3-propan-2-ylphenyl)pyridine
CID 83381583
5-methyl-2-pyridin-3-ylpyridine-4-carbonyl chloride
CID 163503116
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213
1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone
CID 82541383
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-pyridin-3-ylbenzoyl chloride?
The IUPAC name of 2-fluoro-5-pyridin-3-ylbenzoyl chloride (CID 46315592) is 2-fluoro-5-pyridin-3-ylbenzoyl chloride.
What is the SMILES notation for 2-fluoro-5-pyridin-3-ylbenzoyl chloride?
The canonical SMILES for 2-fluoro-5-pyridin-3-ylbenzoyl chloride is O=C(Cl)c1cc(-c2cccnc2)ccc1F.
What is the InChIKey of 2-fluoro-5-pyridin-3-ylbenzoyl chloride?
The InChIKey is DZDARMBZJUFNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO/c13-12(16)10-6-8(3-4-11(10)14)9-2-1-5-15-7-9/h1-7H.
What are the key properties of 2-fluoro-5-pyridin-3-ylbenzoyl chloride?
2-fluoro-5-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 2-fluoro-5-pyridin-3-ylbenzoyl chloride is sourced from PubChem (CID 46315592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).