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

C15H11BrClNO3 — CID 62701399

IUPAC2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1Oc1ccc(Br)cc1Cl)CCC2
InChIInChI=1S/C15H11BrClNO3/c16-9-4-5-13(11(17)7-9)21-14-10(15(19)20)6-8-2-1-3-12(8)18-14/h4-7H,1-3H2,(H,19,20)
InChIKeyYDCPJMSDJXNSSC-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.48
Rot. Bonds3

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

2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62701399) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62701399
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1Oc1ccc(Br)cc1Cl)CCC2
InChIInChI=1S/C15H11BrClNO3/c16-9-4-5-13(11(17)7-9)21-14-10(15(19)20)6-8-2-1-3-12(8)18-14/h4-7H,1-3H2,(H,19,20)
InChIKeyYDCPJMSDJXNSSC-UHFFFAOYSA-N
XLogP4.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62701399) is 2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1Oc1ccc(Br)cc1Cl)CCC2.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is YDCPJMSDJXNSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c16-9-4-5-13(11(17)7-9)21-14-10(15(19)20)6-8-2-1-3-12(8)18-14/h4-7H,1-3H2,(H,19,20).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 368.61 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62701399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).