2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid

C10H8F3NO2 — CID 115038076

IUPAC2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2ccc(C(F)(F)F)nc2C1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8-2-1-5-3-6(9(15)16)4-7(5)14-8/h1-2,6H,3-4H2,(H,15,16)
InChIKeyYVZNAJIHIXYBOZ-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.90
Rot. Bonds1

About 2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid

2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid (PubChem CID 115038076) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
PubChem CID115038076
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2ccc(C(F)(F)F)nc2C1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8-2-1-5-3-6(9(15)16)4-7(5)14-8/h1-2,6H,3-4H2,(H,15,16)
InChIKeyYVZNAJIHIXYBOZ-UHFFFAOYSA-N
XLogP1.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
CID 21260374
(6R)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
CID 58118632
ethyl 4-oxocyclohexane-1-carboxylate;ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carboxylate;2-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
CID 159146033
2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 131131432
2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid
CID 82410139
2-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxylic acid
CID 138029460
disodium;2,3-dihydro-1H-indene-2-carboxylic acid;hydride
CID 173251406
(7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 125454335
2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-ol
CID 130115220
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 97035085
(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120965085
(3R)-2-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124693385

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid (CID 115038076) is 2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid is O=C(O)C1Cc2ccc(C(F)(F)F)nc2C1.
What is the InChIKey of 2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid?
The InChIKey is YVZNAJIHIXYBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)8-2-1-5-3-6(9(15)16)4-7(5)14-8/h1-2,6H,3-4H2,(H,15,16).
What are the key properties of 2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid?
2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid has a molecular weight of 231.17 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid is sourced from PubChem (CID 115038076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).