2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone

C13H8F3NO — CID 114931398

IUPAC2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone
SMILESO=C(Cc1c(F)cccc1F)c1ccc(F)cn1
InChIInChI=1S/C13H8F3NO/c14-8-4-5-12(17-7-8)13(18)6-9-10(15)2-1-3-11(9)16/h1-5,7H,6H2
InChIKeyZSCJMDLVUFTVFT-UHFFFAOYSA-N
MW251.21 g/mol
LogP2.92
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone

2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone (PubChem CID 114931398) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone
PubChem CID114931398
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone
SMILESO=C(Cc1c(F)cccc1F)c1ccc(F)cn1
InChIInChI=1S/C13H8F3NO/c14-8-4-5-12(17-7-8)13(18)6-9-10(15)2-1-3-11(9)16/h1-5,7H,6H2
InChIKeyZSCJMDLVUFTVFT-UHFFFAOYSA-N
XLogP2.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 79722512
1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 113398206
1-(5-fluoro-2-pyridinyl)but-3-yn-1-one
CID 79722226
1-(5-fluoro-2-pyridinyl)but-3-en-1-one
CID 70650260
1-(5-fluoro-2-pyridinyl)-2-(thiadiazol-4-yl)ethanone
CID 130550310
2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79722239
1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone
CID 161381380
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
1-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone
CID 58487120
1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one
CID 79723515
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
CID 79722368

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone (CID 114931398) is 2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone is O=C(Cc1c(F)cccc1F)c1ccc(F)cn1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone?
The InChIKey is ZSCJMDLVUFTVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c14-8-4-5-12(17-7-8)13(18)6-9-10(15)2-1-3-11(9)16/h1-5,7H,6H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone?
2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone has a molecular weight of 251.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 114931398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).