7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid

C8H6BrN3O2 — CID 24903742

IUPAC7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)nc2cncc(Br)c21
InChIInChI=1S/C8H6BrN3O2/c1-12-6-4(9)2-10-3-5(6)11-7(12)8(13)14/h2-3H,1H3,(H,13,14)
InChIKeyWFKQFUWKVXAQSJ-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.43
Rot. Bonds1

About 7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid

7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid (PubChem CID 24903742) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid
PubChem CID24903742
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)nc2cncc(Br)c21
InChIInChI=1S/C8H6BrN3O2/c1-12-6-4(9)2-10-3-5(6)11-7(12)8(13)14/h2-3H,1H3,(H,13,14)
InChIKeyWFKQFUWKVXAQSJ-UHFFFAOYSA-N
XLogP1.43
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate
CID 24903751
6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid
CID 84624653
[4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid
CID 91264873
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid
CID 84641063
7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid
CID 84787286
1-ethylimidazo[4,5-c]pyridine-2-carboxylic acid
CID 131128805
5-bromo-2-methyl-1,2,4-triazole-3-carboxylic acid
CID 67799415
3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84645356
6-bromo-1-propan-2-ylimidazo[4,5-c]pyridine-2-carboxylic acid
CID 90177551
7-bromo-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 133059860
2-acetyl-3-methylbenzimidazole-5-carboxylic acid
CID 84622776

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid (CID 24903742) is 7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid is Cn1c(C(=O)O)nc2cncc(Br)c21.
What is the InChIKey of 7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid?
The InChIKey is WFKQFUWKVXAQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c1-12-6-4(9)2-10-3-5(6)11-7(12)8(13)14/h2-3H,1H3,(H,13,14).
What are the key properties of 7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid?
7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid has a molecular weight of 256.06 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 24903742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).