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

C15H12FNO2 — CID 22769001

IUPAC2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCc2nc(-c3ccccc3F)ccc21
InChIInChI=1S/C15H12FNO2/c16-12-4-2-1-3-11(12)14-7-5-9-10(15(18)19)6-8-13(9)17-14/h1-5,7,10H,6,8H2,(H,18,19)
InChIKeyIKULSRVSGIRSEJ-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.00
Rot. Bonds2

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

2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid (PubChem CID 22769001) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
PubChem CID22769001
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCc2nc(-c3ccccc3F)ccc21
InChIInChI=1S/C15H12FNO2/c16-12-4-2-1-3-11(12)14-7-5-9-10(15(18)19)6-8-13(9)17-14/h1-5,7,10H,6,8H2,(H,18,19)
InChIKeyIKULSRVSGIRSEJ-UHFFFAOYSA-N
XLogP3.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid (CID 22769001) is 2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid is O=C(O)C1CCc2nc(-c3ccccc3F)ccc21.
What is the InChIKey of 2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The InChIKey is IKULSRVSGIRSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-12-4-2-1-3-11(12)14-7-5-9-10(15(18)19)6-8-13(9)17-14/h1-5,7,10H,6,8H2,(H,18,19).
What are the key properties of 2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid has a molecular weight of 257.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid is sourced from PubChem (CID 22769001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).