4-bromo-7-methylpyrrolo[2,3-c]pyridazine

C7H6BrN3 — CID 105465688

IUPAC4-bromo-7-methylpyrrolo[2,3-c]pyridazine
SMILESCn1ccc2c(Br)cnnc21
InChIInChI=1S/C7H6BrN3/c1-11-3-2-5-6(8)4-9-10-7(5)11/h2-4H,1H3
InChIKeyOAZYAOGLZMUTLQ-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.73
Rot. Bonds

About 4-bromo-7-methylpyrrolo[2,3-c]pyridazine

4-bromo-7-methylpyrrolo[2,3-c]pyridazine (PubChem CID 105465688) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 4-bromo-7-methylpyrrolo[2,3-c]pyridazine.

Molecular Properties

Compound Name4-bromo-7-methylpyrrolo[2,3-c]pyridazine
PubChem CID105465688
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name4-bromo-7-methylpyrrolo[2,3-c]pyridazine
SMILESCn1ccc2c(Br)cnnc21
InChIInChI=1S/C7H6BrN3/c1-11-3-2-5-6(8)4-9-10-7(5)11/h2-4H,1H3
InChIKeyOAZYAOGLZMUTLQ-UHFFFAOYSA-N
XLogP1.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methylpyrrolo[2,3-c]pyridazine?
The IUPAC name of 4-bromo-7-methylpyrrolo[2,3-c]pyridazine (CID 105465688) is 4-bromo-7-methylpyrrolo[2,3-c]pyridazine.
What is the SMILES notation for 4-bromo-7-methylpyrrolo[2,3-c]pyridazine?
The canonical SMILES for 4-bromo-7-methylpyrrolo[2,3-c]pyridazine is Cn1ccc2c(Br)cnnc21.
What is the InChIKey of 4-bromo-7-methylpyrrolo[2,3-c]pyridazine?
The InChIKey is OAZYAOGLZMUTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c1-11-3-2-5-6(8)4-9-10-7(5)11/h2-4H,1H3.
What are the key properties of 4-bromo-7-methylpyrrolo[2,3-c]pyridazine?
4-bromo-7-methylpyrrolo[2,3-c]pyridazine has a molecular weight of 212.05 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methylpyrrolo[2,3-c]pyridazine is sourced from PubChem (CID 105465688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).