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

C8H7N3O2 — CID 54466356

IUPAC2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1nc2ncc(C(=O)O)cc2[nH]1
InChIInChI=1S/C8H7N3O2/c1-4-10-6-2-5(8(12)13)3-9-7(6)11-4/h2-3H,1H3,(H,12,13)(H,9,10,11)
InChIKeyXFDGADJKFGIQGE-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.96
Rot. Bonds1

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

2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 54466356) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID54466356
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1nc2ncc(C(=O)O)cc2[nH]1
InChIInChI=1S/C8H7N3O2/c1-4-10-6-2-5(8(12)13)3-9-7(6)11-4/h2-3H,1H3,(H,12,13)(H,9,10,11)
InChIKeyXFDGADJKFGIQGE-UHFFFAOYSA-N
XLogP0.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 54466356) is 2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is Cc1nc2ncc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is XFDGADJKFGIQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-4-10-6-2-5(8(12)13)3-9-7(6)11-4/h2-3H,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 54466356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).