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

C14H13NO4 — CID 53223762

IUPAC4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2ccnc(C(=O)O)c2)cc1OC
InChIInChI=1S/C14H13NO4/c1-18-12-4-3-9(8-13(12)19-2)10-5-6-15-11(7-10)14(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyAQHBDZMALMIWCL-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.46
Rot. Bonds4

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

4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 53223762) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
PubChem CID53223762
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2ccnc(C(=O)O)c2)cc1OC
InChIInChI=1S/C14H13NO4/c1-18-12-4-3-9(8-13(12)19-2)10-5-6-15-11(7-10)14(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyAQHBDZMALMIWCL-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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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid (CID 53223762) is 4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid is COc1ccc(-c2ccnc(C(=O)O)c2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is AQHBDZMALMIWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-12-4-3-9(8-13(12)19-2)10-5-6-15-11(7-10)14(16)17/h3-8H,1-2H3,(H,16,17).
What are the key properties of 4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid?
4-(3,4-dimethoxyphenyl)pyridine-2-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 4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53223762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).