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

C7H4BrN3O2 — CID 22308600

IUPAC6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)11-6(10-4)7(12)13/h1-2H,(H,12,13)(H,9,10,11)
InChIKeyCKRCPGOGLKGUJZ-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.42
Rot. Bonds1

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

6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid (PubChem CID 22308600) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
PubChem CID22308600
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)11-6(10-4)7(12)13/h1-2H,(H,12,13)(H,9,10,11)
InChIKeyCKRCPGOGLKGUJZ-UHFFFAOYSA-N
XLogP1.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Bromo-4-azabenzimidazole
CID 911578
3H-Imidazo(4,5-b)pyridine, 6-bromo-5-methyl-
CID 5310884
6-bromo-2-methyl-1H-imidazo(4,5-b)pyridine
CID 1958572
7-Bromo-1H-imidazo(4,5-b)pyridine
CID 53423966
(6-Bromo-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
CID 54595385
1-(6-bromo-1H-imidazo(4,5-b)pyridin-2-yl)ethan-1-ol
CID 342999
5-Bromo-1H-benzimidazole-2-carboxylic acid
CID 23189704
1-methyl-1H-imidazo(4,5-b)pyridine-2-carboxylic acid
CID 10631135
7-bromo-1H-imidazo[4,5-c]pyridine-2-carboxylic acid
CID 24903737
6-bromo-2-(oxolan-2-yl)-4H-imidazo[4,5-b]pyridine
CID 50987378
(3H-imidazo(4,5-b)pyridin-2-yl)methanol
CID 1282496
ethyl 3H-imidazo(4,5-c)pyridine-2-carboxylate
CID 18537904

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid (CID 22308600) is 6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid is O=C(O)c1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid?
The InChIKey is CKRCPGOGLKGUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)11-6(10-4)7(12)13/h1-2H,(H,12,13)(H,9,10,11).
What are the key properties of 6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid?
6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid has a molecular weight of 242.03 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22308600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).