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

C10H11N3O3 — CID 80503771

IUPAC2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCOCCc1nc2ncc(C(=O)O)cc2[nH]1
InChIInChI=1S/C10H11N3O3/c1-16-3-2-8-12-7-4-6(10(14)15)5-11-9(7)13-8/h4-5H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyCHLDWDLYZXCAFX-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.85
Rot. Bonds4

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

2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 80503771) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID80503771
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCOCCc1nc2ncc(C(=O)O)cc2[nH]1
InChIInChI=1S/C10H11N3O3/c1-16-3-2-8-12-7-4-6(10(14)15)5-11-9(7)13-8/h4-5H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyCHLDWDLYZXCAFX-UHFFFAOYSA-N
XLogP0.85
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821714
2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820568
2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821711
2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796324
2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820572
2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 83136569
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 66587024
2-ethyl-N-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 58024803
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 104520363
2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821331

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 80503771) is 2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is COCCc1nc2ncc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is CHLDWDLYZXCAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-16-3-2-8-12-7-4-6(10(14)15)5-11-9(7)13-8/h4-5H,2-3H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 80503771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).