3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid

C12H17NO4 — CID 22923744

IUPAC3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid
SMILESCOc1ccc(OCCC(C)C)nc1C(=O)O
InChIInChI=1S/C12H17NO4/c1-8(2)6-7-17-10-5-4-9(16-3)11(13-10)12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyLKRYXVNIGZBSIY-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.21
Rot. Bonds6

About 3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid

3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid (PubChem CID 22923744) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid
PubChem CID22923744
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid
SMILESCOc1ccc(OCCC(C)C)nc1C(=O)O
InChIInChI=1S/C12H17NO4/c1-8(2)6-7-17-10-5-4-9(16-3)11(13-10)12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyLKRYXVNIGZBSIY-UHFFFAOYSA-N
XLogP2.21
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-6-(3-methylbutoxy)pyridine-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 3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid (CID 22923744) is 3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid is COc1ccc(OCCC(C)C)nc1C(=O)O.
What is the InChIKey of 3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid?
The InChIKey is LKRYXVNIGZBSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(2)6-7-17-10-5-4-9(16-3)11(13-10)12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid?
3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(3-methylbutoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 22923744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).