1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone

C13H9ClFNO2 — CID 57394963

IUPAC1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)c1ccc(Cl)nc1
InChIInChI=1S/C13H9ClFNO2/c14-13-6-5-9(7-16-13)11(17)8-18-12-4-2-1-3-10(12)15/h1-7H,8H2
InChIKeyOWQFXOWBVPFQQJ-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.14
Rot. Bonds4

About 1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone

1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone (PubChem CID 57394963) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone
PubChem CID57394963
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)c1ccc(Cl)nc1
InChIInChI=1S/C13H9ClFNO2/c14-13-6-5-9(7-16-13)11(17)8-18-12-4-2-1-3-10(12)15/h1-7H,8H2
InChIKeyOWQFXOWBVPFQQJ-UHFFFAOYSA-N
XLogP3.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.14
H-Bond Donors ≤ 50
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-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone (CID 57394963) is 1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone is O=C(COc1ccccc1F)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone?
The InChIKey is OWQFXOWBVPFQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-13-6-5-9(7-16-13)11(17)8-18-12-4-2-1-3-10(12)15/h1-7H,8H2.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone?
1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone has a molecular weight of 265.67 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 57394963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).