3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid

C14H13NO4 — CID 112694211

IUPAC3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid
SMILESCOc1cccc(OC)c1-c1cnccc1C(=O)O
InChIInChI=1S/C14H13NO4/c1-18-11-4-3-5-12(19-2)13(11)10-8-15-7-6-9(10)14(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyGSUUHZAHHJYBGQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.46
Rot. Bonds4

About 3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid

3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid (PubChem CID 112694211) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid
PubChem CID112694211
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid
SMILESCOc1cccc(OC)c1-c1cnccc1C(=O)O
InChIInChI=1S/C14H13NO4/c1-18-11-4-3-5-12(19-2)13(11)10-8-15-7-6-9(10)14(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyGSUUHZAHHJYBGQ-UHFFFAOYSA-N
XLogP2.46
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-dimethoxyphenyl)pyridine-4-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

Related Compounds

3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid
CID 155342375
4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212644
3-methoxy-2-pyrazin-2-yloxybenzoic acid
CID 61395817
3-(3-carboxyphenyl)pyridine-4-carboxylic acid
CID 53223171
3-pyrimidin-5-ylpyridine-4-carboxylic acid
CID 66475076
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
calcium bis(2-carboxy-6-methoxyphenolate)
CID 158722601
3-(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313119
3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid (CID 112694211) is 3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid is COc1cccc(OC)c1-c1cnccc1C(=O)O.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid?
The InChIKey is GSUUHZAHHJYBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-11-4-3-5-12(19-2)13(11)10-8-15-7-6-9(10)14(16)17/h3-8H,1-2H3,(H,16,17).
What are the key properties of 3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid?
3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 112694211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).