5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine

C7H6BrN3O — CID 131544412

IUPAC5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine
SMILESCOc1cc2c(Br)c[nH]c2nn1
InChIInChI=1S/C7H6BrN3O/c1-12-6-2-4-5(8)3-9-7(4)11-10-6/h2-3H,1H3,(H,9,11)
InChIKeyMXSIZDISGHSTQV-UHFFFAOYSA-N
MW228.05 g/mol
LogP1.73
Rot. Bonds1

About 5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine

5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine (PubChem CID 131544412) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is 5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine.

Molecular Properties

Compound Name5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine
PubChem CID131544412
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine
SMILESCOc1cc2c(Br)c[nH]c2nn1
InChIInChI=1S/C7H6BrN3O/c1-12-6-2-4-5(8)3-9-7(4)11-10-6/h2-3H,1H3,(H,9,11)
InChIKeyMXSIZDISGHSTQV-UHFFFAOYSA-N
XLogP1.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 163984508
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
3-bromo-4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridine
CID 166595407
N-[2-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]-N-methylpropan-2-amine
CID 171724883
3-bromo-5-fluoro-7-methoxy-1H-indole
CID 130052168
3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
CID 53412708
5-bromo-4-(3,4-dimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 84609697
5-bromo-2-methoxy-4-methylpyridine;ethane
CID 145360163
5-bromo-2-methoxy-1H-pyridin-4-one
CID 74890654
4-bromo-5-chloro-2-methoxypyridine
CID 70700260
3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine
CID 123135175
6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 53412519

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine?
The IUPAC name of 5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine (CID 131544412) is 5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine.
What is the SMILES notation for 5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine?
The canonical SMILES for 5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine is COc1cc2c(Br)c[nH]c2nn1.
What is the InChIKey of 5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine?
The InChIKey is MXSIZDISGHSTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c1-12-6-2-4-5(8)3-9-7(4)11-10-6/h2-3H,1H3,(H,9,11).
What are the key properties of 5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine?
5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine has a molecular weight of 228.05 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine is sourced from PubChem (CID 131544412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).