2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid

C10H10ClNO3 — CID 118205335

IUPAC2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid
SMILESO=C(O)COc1cc(Cl)c2c(n1)CCC2
InChIInChI=1S/C10H10ClNO3/c11-7-4-9(15-5-10(13)14)12-8-3-1-2-6(7)8/h4H,1-3,5H2,(H,13,14)
InChIKeyJMGLSLSLIRXNEJ-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.69
Rot. Bonds3

About 2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid

2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid (PubChem CID 118205335) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid
PubChem CID118205335
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid
SMILESO=C(O)COc1cc(Cl)c2c(n1)CCC2
InChIInChI=1S/C10H10ClNO3/c11-7-4-9(15-5-10(13)14)12-8-3-1-2-6(7)8/h4H,1-3,5H2,(H,13,14)
InChIKeyJMGLSLSLIRXNEJ-UHFFFAOYSA-N
XLogP1.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid?
The IUPAC name of 2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid (CID 118205335) is 2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid is O=C(O)COc1cc(Cl)c2c(n1)CCC2.
What is the InChIKey of 2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid?
The InChIKey is JMGLSLSLIRXNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-7-4-9(15-5-10(13)14)12-8-3-1-2-6(7)8/h4H,1-3,5H2,(H,13,14).
What are the key properties of 2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid?
2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid has a molecular weight of 227.65 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid is sourced from PubChem (CID 118205335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).