1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone

C13H9ClFNO2 — CID 91426775

IUPAC1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone
SMILESO=C(c1ccc(Cl)nc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C13H9ClFNO2/c14-11-6-3-9(7-16-11)13(18)12(17)8-1-4-10(15)5-2-8/h1-7,12,17H
InChIKeyZKIYGSIAIFOWQK-UHFFFAOYSA-N
MW265.67 g/mol
LogP2.79
Rot. Bonds3

About 1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone

1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone (PubChem CID 91426775) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone
PubChem CID91426775
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone
SMILESO=C(c1ccc(Cl)nc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C13H9ClFNO2/c14-11-6-3-9(7-16-11)13(18)12(17)8-1-4-10(15)5-2-8/h1-7,12,17H
InChIKeyZKIYGSIAIFOWQK-UHFFFAOYSA-N
XLogP2.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone (CID 91426775) is 1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone is O=C(c1ccc(Cl)nc1)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone?
The InChIKey is ZKIYGSIAIFOWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-11-6-3-9(7-16-11)13(18)12(17)8-1-4-10(15)5-2-8/h1-7,12,17H.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone?
1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone has a molecular weight of 265.67 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)-2-hydroxyethanone is sourced from PubChem (CID 91426775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).