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

C9H10N4O2 — CID 84674016

IUPAC7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
SMILESCN(C)c1ccnc2nc(C(=O)O)[nH]c12
InChIInChI=1S/C9H10N4O2/c1-13(2)5-3-4-10-7-6(5)11-8(12-7)9(14)15/h3-4H,1-2H3,(H,14,15)(H,10,11,12)
InChIKeyBDJOBARIKAJREH-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.72
Rot. Bonds2

About 7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid

7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid (PubChem CID 84674016) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
PubChem CID84674016
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
SMILESCN(C)c1ccnc2nc(C(=O)O)[nH]c12
InChIInChI=1S/C9H10N4O2/c1-13(2)5-3-4-10-7-6(5)11-8(12-7)9(14)15/h3-4H,1-2H3,(H,14,15)(H,10,11,12)
InChIKeyBDJOBARIKAJREH-UHFFFAOYSA-N
XLogP0.72
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid (CID 84674016) is 7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid is CN(C)c1ccnc2nc(C(=O)O)[nH]c12.
What is the InChIKey of 7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid?
The InChIKey is BDJOBARIKAJREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-13(2)5-3-4-10-7-6(5)11-8(12-7)9(14)15/h3-4H,1-2H3,(H,14,15)(H,10,11,12).
What are the key properties of 7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid?
7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 84674016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).