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

C16H12F3NO2 — CID 22769037

IUPAC2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCc2nc(-c3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)12-4-2-1-3-11(12)14-7-5-9-10(15(21)22)6-8-13(9)20-14/h1-5,7,10H,6,8H2,(H,21,22)
InChIKeyUJVYKWOLPKVMSE-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.88
Rot. Bonds2

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

2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid (PubChem CID 22769037) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
PubChem CID22769037
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCc2nc(-c3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)12-4-2-1-3-11(12)14-7-5-9-10(15(21)22)6-8-13(9)20-14/h1-5,7,10H,6,8H2,(H,21,22)
InChIKeyUJVYKWOLPKVMSE-UHFFFAOYSA-N
XLogP3.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid (CID 22769037) is 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid is O=C(O)C1CCc2nc(-c3ccccc3C(F)(F)F)ccc21.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The InChIKey is UJVYKWOLPKVMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-16(18,19)12-4-2-1-3-11(12)14-7-5-9-10(15(21)22)6-8-13(9)20-14/h1-5,7,10H,6,8H2,(H,21,22).
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid has a molecular weight of 307.27 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid is sourced from PubChem (CID 22769037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).