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

C15H15NO5 — CID 39233473

IUPAC5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cncc(C(=O)O)c2)c(OC)c1OC
InChIInChI=1S/C15H15NO5/c1-19-12-5-4-11(13(20-2)14(12)21-3)9-6-10(15(17)18)8-16-7-9/h4-8H,1-3H3,(H,17,18)
InChIKeyDKSBAWYQQHNQFB-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.47
Rot. Bonds5

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

5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 39233473) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid
PubChem CID39233473
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cncc(C(=O)O)c2)c(OC)c1OC
InChIInChI=1S/C15H15NO5/c1-19-12-5-4-11(13(20-2)14(12)21-3)9-6-10(15(17)18)8-16-7-9/h4-8H,1-3H3,(H,17,18)
InChIKeyDKSBAWYQQHNQFB-UHFFFAOYSA-N
XLogP2.47
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid (CID 39233473) is 5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid is COc1ccc(-c2cncc(C(=O)O)c2)c(OC)c1OC.
What is the InChIKey of 5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is DKSBAWYQQHNQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-12-5-4-11(13(20-2)14(12)21-3)9-6-10(15(17)18)8-16-7-9/h4-8H,1-3H3,(H,17,18).
What are the key properties of 5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid?
5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 39233473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).