1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone

C13H9F2NO — CID 66823447

IUPAC1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C13H9F2NO/c1-8(17)12-3-2-4-13(16-12)10-6-5-9(14)7-11(10)15/h2-7H,1H3
InChIKeyRKEWYSYENSXYMN-UHFFFAOYSA-N
MW233.22 g/mol
LogP3.23
Rot. Bonds2

About 1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone

1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone (PubChem CID 66823447) has the molecular formula C13H9F2NO and a molecular weight of 233.22 g/mol. Its IUPAC name is 1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone
PubChem CID66823447
Molecular FormulaC13H9F2NO
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C13H9F2NO/c1-8(17)12-3-2-4-13(16-12)10-6-5-9(14)7-11(10)15/h2-7H,1H3
InChIKeyRKEWYSYENSXYMN-UHFFFAOYSA-N
XLogP3.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone (CID 66823447) is 1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone?
The InChIKey is RKEWYSYENSXYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO/c1-8(17)12-3-2-4-13(16-12)10-6-5-9(14)7-11(10)15/h2-7H,1H3.
What are the key properties of 1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone?
1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone has a molecular weight of 233.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 66823447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).