5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid

C14H13NO4 — CID 24729791

IUPAC5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cncc(C(=O)O)c2)c(OC)c1
InChIInChI=1S/C14H13NO4/c1-18-11-3-4-12(13(6-11)19-2)9-5-10(14(16)17)8-15-7-9/h3-8H,1-2H3,(H,16,17)
InChIKeyVRMULYNIQXCWFX-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.46
Rot. Bonds4

About 5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid

5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 24729791) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
PubChem CID24729791
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cncc(C(=O)O)c2)c(OC)c1
InChIInChI=1S/C14H13NO4/c1-18-11-3-4-12(13(6-11)19-2)9-5-10(14(16)17)8-15-7-9/h3-8H,1-2H3,(H,16,17)
InChIKeyVRMULYNIQXCWFX-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

5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid
CID 39233473
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
5-(4-methoxyanilino)pyridine-3-carboxylic acid
CID 82535078
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 53223746
2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid
CID 53227218
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
CID 63851505
5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049476
5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
CID 113319492

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid (CID 24729791) is 5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid is COc1ccc(-c2cncc(C(=O)O)c2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is VRMULYNIQXCWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-11-3-4-12(13(6-11)19-2)9-5-10(14(16)17)8-15-7-9/h3-8H,1-2H3,(H,16,17).
What are the key properties of 5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid?
5-(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 5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 24729791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).