2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone

C16H13F2NO — CID 115783755

IUPAC2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
SMILESO=C(Cc1c(F)cccc1F)C1CCc2cccnc21
InChIInChI=1S/C16H13F2NO/c17-13-4-1-5-14(18)12(13)9-15(20)11-7-6-10-3-2-8-19-16(10)11/h1-5,8,11H,6-7,9H2
InChIKeyIYQOSHMIWFWMAE-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.20
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone

2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone (PubChem CID 115783755) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
PubChem CID115783755
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
SMILESO=C(Cc1c(F)cccc1F)C1CCc2cccnc21
InChIInChI=1S/C16H13F2NO/c17-13-4-1-5-14(18)12(13)9-15(20)11-7-6-10-3-2-8-19-16(10)11/h1-5,8,11H,6-7,9H2
InChIKeyIYQOSHMIWFWMAE-UHFFFAOYSA-N
XLogP3.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone (CID 115783755) is 2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone is O=C(Cc1c(F)cccc1F)C1CCc2cccnc21.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone?
The InChIKey is IYQOSHMIWFWMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-13-4-1-5-14(18)12(13)9-15(20)11-7-6-10-3-2-8-19-16(10)11/h1-5,8,11H,6-7,9H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone?
2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone has a molecular weight of 273.28 g/mol, XLogP of 3.20, 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-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone is sourced from PubChem (CID 115783755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).