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

C10H8F3NO2 — CID 115038078

IUPAC3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2cnc(C(F)(F)F)cc2C1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8-3-5-1-6(9(15)16)2-7(5)4-14-8/h3-4,6H,1-2H2,(H,15,16)
InChIKeyCPFNUXITFSRJBJ-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.90
Rot. Bonds1

About 3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid

3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid (PubChem CID 115038078) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
PubChem CID115038078
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2cnc(C(F)(F)F)cc2C1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8-3-5-1-6(9(15)16)2-7(5)4-14-8/h3-4,6H,1-2H2,(H,15,16)
InChIKeyCPFNUXITFSRJBJ-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

3-(Pyridin-3-yl)propanoic acid
CID 259624
3-(3-Methylpyridin-2-yl)propanoic acid
CID 28924889
2-Phenyl-4-pyridin-2-ylbutanoic acid
CID 238363
3-(5-Ethyl-2-pyridinyl)propanoic acid
CID 411803
3-(6-(trifluoromethyl)pyridin-3-yl)propanoic Acid
CID 2783390
5H,6H,7H-cyclopenta[b]pyridine-6-carboxylic acid
CID 15521501
rac-(1R,2R)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 39235822
3-(6-Phenyl-3-pyridinyl)hex-4-ynoic acid
CID 170551856
3-Phenyl-3-(pyridin-2-yl)propanoic acid
CID 10633058
(3S)-3-(pyridin-3-yl)butanoic acid
CID 28791591
rac-(1R,2R)-2-(pyridin-3-yl)cyclopropane-1-carboxylic acid
CID 39235836
(2R)-2-methyl-3-(pyridin-3-yl)propanoic acid
CID 42079653

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid?
The IUPAC name of 3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid (CID 115038078) is 3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid is O=C(O)C1Cc2cnc(C(F)(F)F)cc2C1.
What is the InChIKey of 3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid?
The InChIKey is CPFNUXITFSRJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)8-3-5-1-6(9(15)16)2-7(5)4-14-8/h3-4,6H,1-2H2,(H,15,16).
What are the key properties of 3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid?
3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]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 3-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid is sourced from PubChem (CID 115038078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).