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

C15H11ClFNO2 — CID 22769042

IUPAC3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCc2nc(-c3ccc(F)cc3)c(Cl)cc21
InChIInChI=1S/C15H11ClFNO2/c16-12-7-11-10(15(19)20)5-6-13(11)18-14(12)8-1-3-9(17)4-2-8/h1-4,7,10H,5-6H2,(H,19,20)
InChIKeyMYDRLOFYTZTUQK-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.66
Rot. Bonds2

About 3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid

3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid (PubChem CID 22769042) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
PubChem CID22769042
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCc2nc(-c3ccc(F)cc3)c(Cl)cc21
InChIInChI=1S/C15H11ClFNO2/c16-12-7-11-10(15(19)20)5-6-13(11)18-14(12)8-1-3-9(17)4-2-8/h1-4,7,10H,5-6H2,(H,19,20)
InChIKeyMYDRLOFYTZTUQK-UHFFFAOYSA-N
XLogP3.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The IUPAC name of 3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid (CID 22769042) is 3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid is O=C(O)C1CCc2nc(-c3ccc(F)cc3)c(Cl)cc21.
What is the InChIKey of 3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The InChIKey is MYDRLOFYTZTUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-12-7-11-10(15(19)20)5-6-13(11)18-14(12)8-1-3-9(17)4-2-8/h1-4,7,10H,5-6H2,(H,19,20).
What are the key properties of 3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid has a molecular weight of 291.71 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid is sourced from PubChem (CID 22769042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).