2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

C10H11N3O2 — CID 130705281

IUPAC2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCCCc1nc2nc(C(=O)O)ccc2[nH]1
InChIInChI=1S/C10H11N3O2/c1-2-3-8-11-6-4-5-7(10(14)15)12-9(6)13-8/h4-5H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyAQEHRCBQCHPGCW-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.61
Rot. Bonds3

About 2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 130705281) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID130705281
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCCCc1nc2nc(C(=O)O)ccc2[nH]1
InChIInChI=1S/C10H11N3O2/c1-2-3-8-11-6-4-5-7(10(14)15)12-9(6)13-8/h4-5H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyAQEHRCBQCHPGCW-UHFFFAOYSA-N
XLogP1.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid (CID 130705281) is 2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid is CCCc1nc2nc(C(=O)O)ccc2[nH]1.
What is the InChIKey of 2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is AQEHRCBQCHPGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-3-8-11-6-4-5-7(10(14)15)12-9(6)13-8/h4-5H,2-3H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 130705281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).