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

C14H13NO4 — CID 53223736

IUPAC2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2ncccc2C(=O)O)c(OC)c1
InChIInChI=1S/C14H13NO4/c1-18-9-5-6-10(12(8-9)19-2)13-11(14(16)17)4-3-7-15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyARYQDDOXRHGTLU-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.46
Rot. Bonds4

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

2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 53223736) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
PubChem CID53223736
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2ncccc2C(=O)O)c(OC)c1
InChIInChI=1S/C14H13NO4/c1-18-9-5-6-10(12(8-9)19-2)13-11(14(16)17)4-3-7-15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyARYQDDOXRHGTLU-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

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Related Compounds

2-(2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylic acid
CID 102275828
3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82296819
methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate
CID 177204669
2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
CID 19700750
3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 61264514
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 53223746
5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82302598
2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid
CID 53227218
3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carboxylic acid
CID 61266679
[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74230165

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid (CID 53223736) is 2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid is COc1ccc(-c2ncccc2C(=O)O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is ARYQDDOXRHGTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-9-5-6-10(12(8-9)19-2)13-11(14(16)17)4-3-7-15-13/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid?
2-(2,4-dimethoxyphenyl)pyridine-3-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 2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53223736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).