1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone

C13H9F2NO — CID 18987651

IUPAC1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone
SMILESO=C(Cc1cccc(F)n1)c1ccc(F)cc1
InChIInChI=1S/C13H9F2NO/c14-10-6-4-9(5-7-10)12(17)8-11-2-1-3-13(15)16-11/h1-7H,8H2
InChIKeyMEBHFVNDWBPQSS-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.79
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone

1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone (PubChem CID 18987651) has the molecular formula C13H9F2NO and a molecular weight of 233.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone
PubChem CID18987651
Molecular FormulaC13H9F2NO
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone
SMILESO=C(Cc1cccc(F)n1)c1ccc(F)cc1
InChIInChI=1S/C13H9F2NO/c14-10-6-4-9(5-7-10)12(17)8-11-2-1-3-13(15)16-11/h1-7H,8H2
InChIKeyMEBHFVNDWBPQSS-UHFFFAOYSA-N
XLogP2.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Benzoylpyridine
CID 7038
2-Acetyl-6-methylpyridine
CID 138872
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
2-(Phenylethynyl)-7,8-dihydroquinolin-5(6H)-one
CID 11379626
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
1-Phenyl-3-(pyridin-2-yl)propane-1,3-dione
CID 238448
2,7,7-trimethyl-7,8-dihydro-5(6H)-quinolinone
CID 5055591
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
1-Phenyl-2-(2-pyridinyl)ethanone
CID 74179
(6-Bromo-2-pyridinyl)(4-methylphenyl)methanone
CID 13191750
1-(Quinolin-2-yl)ethan-1-one
CID 318703
1-(2,4,6-Trimethylpyridin-3-yl)ethan-1-one
CID 268124

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone (CID 18987651) is 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone is O=C(Cc1cccc(F)n1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone?
The InChIKey is MEBHFVNDWBPQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO/c14-10-6-4-9(5-7-10)12(17)8-11-2-1-3-13(15)16-11/h1-7H,8H2.
What are the key properties of 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone?
1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone has a molecular weight of 233.22 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 18987651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).