2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid

C14H13NO5 — CID 46779210

IUPAC2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1cccc(Oc2ncccc2C(=O)O)c1OC
InChIInChI=1S/C14H13NO5/c1-18-10-6-3-7-11(12(10)19-2)20-13-9(14(16)17)5-4-8-15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyNNJPKEDZLAKOKB-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.59
Rot. Bonds5

About 2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid

2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid (PubChem CID 46779210) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
PubChem CID46779210
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1cccc(Oc2ncccc2C(=O)O)c1OC
InChIInChI=1S/C14H13NO5/c1-18-10-6-3-7-11(12(10)19-2)20-13-9(14(16)17)5-4-8-15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyNNJPKEDZLAKOKB-UHFFFAOYSA-N
XLogP2.59
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid (CID 46779210) is 2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid is COc1cccc(Oc2ncccc2C(=O)O)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid?
The InChIKey is NNJPKEDZLAKOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-18-10-6-3-7-11(12(10)19-2)20-13-9(14(16)17)5-4-8-15-13/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid?
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 46779210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).