6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone

C16H12F3NO — CID 115783797

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)C1CCc2cccnc21
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-6-2-1-5-11(13)15(21)12-8-7-10-4-3-9-20-14(10)12/h1-6,9,12H,7-8H2
InChIKeyZJEGVUBETNZOLA-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.01
Rot. Bonds2

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 115783797) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone
PubChem CID115783797
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)C1CCc2cccnc21
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-6-2-1-5-11(13)15(21)12-8-7-10-4-3-9-20-14(10)12/h1-6,9,12H,7-8H2
InChIKeyZJEGVUBETNZOLA-UHFFFAOYSA-N
XLogP4.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone (CID 115783797) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)C1CCc2cccnc21.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZJEGVUBETNZOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-6-2-1-5-11(13)15(21)12-8-7-10-4-3-9-20-14(10)12/h1-6,9,12H,7-8H2.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 291.27 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 115783797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).