2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C7H6N4O2 — CID 82820572

IUPAC2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESNc1nc2ncc(C(=O)O)cc2[nH]1
InChIInChI=1S/C7H6N4O2/c8-7-10-4-1-3(6(12)13)2-9-5(4)11-7/h1-2H,(H,12,13)(H3,8,9,10,11)
InChIKeyXPDGKGAXNWZAOP-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.24
Rot. Bonds1

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

2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82820572) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82820572
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESNc1nc2ncc(C(=O)O)cc2[nH]1
InChIInChI=1S/C7H6N4O2/c8-7-10-4-1-3(6(12)13)2-9-5(4)11-7/h1-2H,(H,12,13)(H3,8,9,10,11)
InChIKeyXPDGKGAXNWZAOP-UHFFFAOYSA-N
XLogP0.24
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82820572) is 2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is Nc1nc2ncc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is XPDGKGAXNWZAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-7-10-4-1-3(6(12)13)2-9-5(4)11-7/h1-2H,(H,12,13)(H3,8,9,10,11).
What are the key properties of 2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82820572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).