2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid

C15H12FNO2 — CID 22769035

IUPAC2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCc2nc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C15H12FNO2/c16-10-3-1-9(2-4-10)13-7-5-11-12(15(18)19)6-8-14(11)17-13/h1-5,7,12H,6,8H2,(H,18,19)
InChIKeyQEFMWPYKIQBRKB-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.00
Rot. Bonds2

About 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid

2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid (PubChem CID 22769035) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
PubChem CID22769035
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCc2nc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C15H12FNO2/c16-10-3-1-9(2-4-10)13-7-5-11-12(15(18)19)6-8-14(11)17-13/h1-5,7,12H,6,8H2,(H,18,19)
InChIKeyQEFMWPYKIQBRKB-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-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid (CID 22769035) is 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid is O=C(O)C1CCc2nc(-c3ccc(F)cc3)ccc21.
What is the InChIKey of 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The InChIKey is QEFMWPYKIQBRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-10-3-1-9(2-4-10)13-7-5-11-12(15(18)19)6-8-14(11)17-13/h1-5,7,12H,6,8H2,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
2-(4-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-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid is sourced from PubChem (CID 22769035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).