5,6-dimethoxypyridine-2-carboxylic acid

C8H9NO4 — CID 23002374

IUPAC5,6-dimethoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)nc1OC
InChIInChI=1S/C8H9NO4/c1-12-6-4-3-5(8(10)11)9-7(6)13-2/h3-4H,1-2H3,(H,10,11)
InChIKeyKUYQYZCJTXNORX-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.80
Rot. Bonds3

About 5,6-dimethoxypyridine-2-carboxylic acid

5,6-dimethoxypyridine-2-carboxylic acid (PubChem CID 23002374) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 5,6-dimethoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethoxypyridine-2-carboxylic acid
PubChem CID23002374
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name5,6-dimethoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)nc1OC
InChIInChI=1S/C8H9NO4/c1-12-6-4-3-5(8(10)11)9-7(6)13-2/h3-4H,1-2H3,(H,10,11)
InChIKeyKUYQYZCJTXNORX-UHFFFAOYSA-N
XLogP0.80
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethoxypyridine-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 5,6-dimethoxypyridine-2-carboxylic acid?
The IUPAC name of 5,6-dimethoxypyridine-2-carboxylic acid (CID 23002374) is 5,6-dimethoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5,6-dimethoxypyridine-2-carboxylic acid?
The canonical SMILES for 5,6-dimethoxypyridine-2-carboxylic acid is COc1ccc(C(=O)O)nc1OC.
What is the InChIKey of 5,6-dimethoxypyridine-2-carboxylic acid?
The InChIKey is KUYQYZCJTXNORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-12-6-4-3-5(8(10)11)9-7(6)13-2/h3-4H,1-2H3,(H,10,11).
What are the key properties of 5,6-dimethoxypyridine-2-carboxylic acid?
5,6-dimethoxypyridine-2-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 23002374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).