2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C15H13N3O3 — CID 82796070

IUPAC2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCOc1ccc(-c2nc3ncc(C(=O)O)cc3[nH]2)cc1
InChIInChI=1S/C15H13N3O3/c1-2-21-11-5-3-9(4-6-11)13-17-12-7-10(15(19)20)8-16-14(12)18-13/h3-8H,2H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyZOCDCSQEAVIRHP-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.72
Rot. Bonds4

About 2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82796070) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82796070
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCOc1ccc(-c2nc3ncc(C(=O)O)cc3[nH]2)cc1
InChIInChI=1S/C15H13N3O3/c1-2-21-11-5-3-9(4-6-11)13-17-12-7-10(15(19)20)8-16-14(12)18-13/h3-8H,2H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyZOCDCSQEAVIRHP-UHFFFAOYSA-N
XLogP2.72
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82796070) is 2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is CCOc1ccc(-c2nc3ncc(C(=O)O)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is ZOCDCSQEAVIRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-21-11-5-3-9(4-6-11)13-17-12-7-10(15(19)20)8-16-14(12)18-13/h3-8H,2H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82796070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).