4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid

C10H8ClNO2 — CID 58146835

IUPAC4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC1=Cc2c(ncc(C(=O)O)c2Cl)C1
InChIInChI=1S/C10H8ClNO2/c1-5-2-6-8(3-5)12-4-7(9(6)11)10(13)14/h2,4H,3H2,1H3,(H,13,14)
InChIKeyGAAOFIVXQWSGHL-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.39
Rot. Bonds1

About 4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid

4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 58146835) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID58146835
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC1=Cc2c(ncc(C(=O)O)c2Cl)C1
InChIInChI=1S/C10H8ClNO2/c1-5-2-6-8(3-5)12-4-7(9(6)11)10(13)14/h2,4H,3H2,1H3,(H,13,14)
InChIKeyGAAOFIVXQWSGHL-UHFFFAOYSA-N
XLogP2.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic 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 4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid (CID 58146835) is 4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid is CC1=Cc2c(ncc(C(=O)O)c2Cl)C1.
What is the InChIKey of 4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is GAAOFIVXQWSGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-5-2-6-8(3-5)12-4-7(9(6)11)10(13)14/h2,4H,3H2,1H3,(H,13,14).
What are the key properties of 4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid?
4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 209.63 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 58146835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).