1-methylimidazo[4,5-b]pyridine-2-carboxylic acid

C8H7N3O2 — CID 10631135

IUPAC1-methylimidazo[4,5-b]pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)nc2ncccc21
InChIInChI=1S/C8H7N3O2/c1-11-5-3-2-4-9-6(5)10-7(11)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyGAERHPYUMWFUPX-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.67
Rot. Bonds1

About 1-methylimidazo[4,5-b]pyridine-2-carboxylic acid

1-methylimidazo[4,5-b]pyridine-2-carboxylic acid (PubChem CID 10631135) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1-methylimidazo[4,5-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-methylimidazo[4,5-b]pyridine-2-carboxylic acid
PubChem CID10631135
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name1-methylimidazo[4,5-b]pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)nc2ncccc21
InChIInChI=1S/C8H7N3O2/c1-11-5-3-2-4-9-6(5)10-7(11)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyGAERHPYUMWFUPX-UHFFFAOYSA-N
XLogP0.67
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazo[4,5-b]pyridine-2-carboxylic acid?
The IUPAC name of 1-methylimidazo[4,5-b]pyridine-2-carboxylic acid (CID 10631135) is 1-methylimidazo[4,5-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-methylimidazo[4,5-b]pyridine-2-carboxylic acid?
The canonical SMILES for 1-methylimidazo[4,5-b]pyridine-2-carboxylic acid is Cn1c(C(=O)O)nc2ncccc21.
What is the InChIKey of 1-methylimidazo[4,5-b]pyridine-2-carboxylic acid?
The InChIKey is GAERHPYUMWFUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-11-5-3-2-4-9-6(5)10-7(11)8(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 1-methylimidazo[4,5-b]pyridine-2-carboxylic acid?
1-methylimidazo[4,5-b]pyridine-2-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazo[4,5-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 10631135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).