5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid

C10H10ClNO3 — CID 154126270

IUPAC5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid
SMILESCOc1cc(Cl)c(C2CC2)nc1C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-15-7-4-6(11)8(5-2-3-5)12-9(7)10(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyCJKDEEKPVDAZGS-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.32
Rot. Bonds3

About 5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid

5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid (PubChem CID 154126270) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid
PubChem CID154126270
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid
SMILESCOc1cc(Cl)c(C2CC2)nc1C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-15-7-4-6(11)8(5-2-3-5)12-9(7)10(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyCJKDEEKPVDAZGS-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-6-cyclopropyl-3-methoxypyridine-2-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 5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid (CID 154126270) is 5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid is COc1cc(Cl)c(C2CC2)nc1C(=O)O.
What is the InChIKey of 5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid?
The InChIKey is CJKDEEKPVDAZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-15-7-4-6(11)8(5-2-3-5)12-9(7)10(13)14/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid?
5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid has a molecular weight of 227.65 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 154126270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).