4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione

C9H6F3NO2 — CID 129078784

IUPAC4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione
SMILESO=C1CCc2[nH]c(=O)cc(C(F)(F)F)c21
InChIInChI=1S/C9H6F3NO2/c10-9(11,12)4-3-7(15)13-5-1-2-6(14)8(4)5/h3H,1-2H2,(H,13,15)
InChIKeyRWODAQXTVFONIO-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.52
Rot. Bonds

About 4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione

4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione (PubChem CID 129078784) has the molecular formula C9H6F3NO2 and a molecular weight of 217.15 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione
PubChem CID129078784
Molecular FormulaC9H6F3NO2
Molecular Weight217.15 g/mol
Exact Mass217.04
IUPAC Name4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione
SMILESO=C1CCc2[nH]c(=O)cc(C(F)(F)F)c21
InChIInChI=1S/C9H6F3NO2/c10-9(11,12)4-3-7(15)13-5-1-2-6(14)8(4)5/h3H,1-2H2,(H,13,15)
InChIKeyRWODAQXTVFONIO-UHFFFAOYSA-N
XLogP1.52
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(trifluoromethyl)-1H,2H,5H,6H,7H-cyclopenta(b)pyridin-2-one
CID 46942366
4-(Trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 2739695
4-(Difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 171830251
5,5-Difluoro-1,4-dihydroindole-2,3-dione
CID 152624438
6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione
CID 57325676
3,5-Dihydro-1H-indole-2,4-dione
CID 71406600

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione?
The IUPAC name of 4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione (CID 129078784) is 4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione.
What is the SMILES notation for 4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione?
The canonical SMILES for 4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione is O=C1CCc2[nH]c(=O)cc(C(F)(F)F)c21.
What is the InChIKey of 4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione?
The InChIKey is RWODAQXTVFONIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO2/c10-9(11,12)4-3-7(15)13-5-1-2-6(14)8(4)5/h3H,1-2H2,(H,13,15).
What are the key properties of 4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione?
4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione has a molecular weight of 217.15 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione is sourced from PubChem (CID 129078784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).