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

C15H12INO3 — CID 62702932

IUPAC2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1Oc1ccc(I)cc1)CCC2
InChIInChI=1S/C15H12INO3/c16-10-4-6-11(7-5-10)20-14-12(15(18)19)8-9-2-1-3-13(9)17-14/h4-8H,1-3H2,(H,18,19)
InChIKeyPWMDBKHFHFIDLZ-UHFFFAOYSA-N
MW381.17 g/mol
LogP3.67
Rot. Bonds3

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

2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62702932) has the molecular formula C15H12INO3 and a molecular weight of 381.17 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62702932
Molecular FormulaC15H12INO3
Molecular Weight381.17 g/mol
Exact Mass380.99
IUPAC Name2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1Oc1ccc(I)cc1)CCC2
InChIInChI=1S/C15H12INO3/c16-10-4-6-11(7-5-10)20-14-12(15(18)19)8-9-2-1-3-13(9)17-14/h4-8H,1-3H2,(H,18,19)
InChIKeyPWMDBKHFHFIDLZ-UHFFFAOYSA-N
XLogP3.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62702932) is 2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1Oc1ccc(I)cc1)CCC2.
What is the InChIKey of 2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is PWMDBKHFHFIDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO3/c16-10-4-6-11(7-5-10)20-14-12(15(18)19)8-9-2-1-3-13(9)17-14/h4-8H,1-3H2,(H,18,19).
What are the key properties of 2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 381.17 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62702932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).