2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid

C11H11NO2 — CID 162462180

IUPAC2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid
SMILESCC1=C(CC(=O)O)c2cccnc2C1
InChIInChI=1S/C11H11NO2/c1-7-5-10-8(3-2-4-12-10)9(7)6-11(13)14/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyXWTCHXYFUMBBAD-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.89
Rot. Bonds2

About 2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid

2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid (PubChem CID 162462180) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid
PubChem CID162462180
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid
SMILESCC1=C(CC(=O)O)c2cccnc2C1
InChIInChI=1S/C11H11NO2/c1-7-5-10-8(3-2-4-12-10)9(7)6-11(13)14/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyXWTCHXYFUMBBAD-UHFFFAOYSA-N
XLogP1.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid (CID 162462180) is 2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid is CC1=C(CC(=O)O)c2cccnc2C1.
What is the InChIKey of 2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid?
The InChIKey is XWTCHXYFUMBBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-5-10-8(3-2-4-12-10)9(7)6-11(13)14/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid?
2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid has a molecular weight of 189.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid is sourced from PubChem (CID 162462180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).