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

C15H12ClNO2 — CID 12519915

IUPAC2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCc2nc(-c3cccc(Cl)c3)ccc21
InChIInChI=1S/C15H12ClNO2/c16-10-3-1-2-9(8-10)13-6-4-11-12(15(18)19)5-7-14(11)17-13/h1-4,6,8,12H,5,7H2,(H,18,19)
InChIKeyHQJMYNJXQDVKJL-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.52
Rot. Bonds2

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

2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid (PubChem CID 12519915) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
PubChem CID12519915
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCc2nc(-c3cccc(Cl)c3)ccc21
InChIInChI=1S/C15H12ClNO2/c16-10-3-1-2-9(8-10)13-6-4-11-12(15(18)19)5-7-14(11)17-13/h1-4,6,8,12H,5,7H2,(H,18,19)
InChIKeyHQJMYNJXQDVKJL-UHFFFAOYSA-N
XLogP3.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid (CID 12519915) is 2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid is O=C(O)C1CCc2nc(-c3cccc(Cl)c3)ccc21.
What is the InChIKey of 2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
The InChIKey is HQJMYNJXQDVKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-10-3-1-2-9(8-10)13-6-4-11-12(15(18)19)5-7-14(11)17-13/h1-4,6,8,12H,5,7H2,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid?
2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid has a molecular weight of 273.72 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid is sourced from PubChem (CID 12519915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).