2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone

C13H9ClFNO — CID 103047922

IUPAC2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone
SMILESO=C(Cc1cc(Cl)ccc1F)c1ccccn1
InChIInChI=1S/C13H9ClFNO/c14-10-4-5-11(15)9(7-10)8-13(17)12-3-1-2-6-16-12/h1-7H,8H2
InChIKeyKTGDEAAZDHFXKL-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.30
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone

2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone (PubChem CID 103047922) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone
PubChem CID103047922
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone
SMILESO=C(Cc1cc(Cl)ccc1F)c1ccccn1
InChIInChI=1S/C13H9ClFNO/c14-10-4-5-11(15)9(7-10)8-13(17)12-3-1-2-6-16-12/h1-7H,8H2
InChIKeyKTGDEAAZDHFXKL-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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone (CID 103047922) is 2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone is O=C(Cc1cc(Cl)ccc1F)c1ccccn1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone?
The InChIKey is KTGDEAAZDHFXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-10-4-5-11(15)9(7-10)8-13(17)12-3-1-2-6-16-12/h1-7H,8H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone?
2-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone 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-(5-chloro-2-fluorophenyl)-1-pyridin-2-ylethanone is sourced from PubChem (CID 103047922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).