2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone

C13H9ClFNO — CID 10857873

IUPAC2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccnc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C13H9ClFNO/c14-13-8-9(5-6-16-13)7-12(17)10-1-3-11(15)4-2-10/h1-6,8H,7H2
InChIKeyYELDSRZWSMAJAM-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.30
Rot. Bonds3

About 2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone

2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone (PubChem CID 10857873) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone
PubChem CID10857873
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccnc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C13H9ClFNO/c14-13-8-9(5-6-16-13)7-12(17)10-1-3-11(15)4-2-10/h1-6,8H,7H2
InChIKeyYELDSRZWSMAJAM-UHFFFAOYSA-N
XLogP3.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone (CID 10857873) is 2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone is O=C(Cc1ccnc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone?
The InChIKey is YELDSRZWSMAJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-13-8-9(5-6-16-13)7-12(17)10-1-3-11(15)4-2-10/h1-6,8H,7H2.
What are the key properties of 2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone?
2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone has a molecular weight of 249.67 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 10857873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).