1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone

C13H9ClFNO — CID 175646991

IUPAC1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(F)cc(Cl)c2)nc1
InChIInChI=1S/C13H9ClFNO/c1-8(17)9-2-3-13(16-7-9)10-4-11(14)6-12(15)5-10/h2-7H,1H3
InChIKeyVSFWTDPQYGMVQI-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.74
Rot. Bonds2

About 1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone

1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone (PubChem CID 175646991) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is 1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone
PubChem CID175646991
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(F)cc(Cl)c2)nc1
InChIInChI=1S/C13H9ClFNO/c1-8(17)9-2-3-13(16-7-9)10-4-11(14)6-12(15)5-10/h2-7H,1H3
InChIKeyVSFWTDPQYGMVQI-UHFFFAOYSA-N
XLogP3.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone (CID 175646991) is 1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2cc(F)cc(Cl)c2)nc1.
What is the InChIKey of 1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone?
The InChIKey is VSFWTDPQYGMVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c1-8(17)9-2-3-13(16-7-9)10-4-11(14)6-12(15)5-10/h2-7H,1H3.
What are the key properties of 1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone?
1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone has a molecular weight of 249.67 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 175646991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).