7-bromo-6-methylpyrrolo[1,2-b]pyridazine

C8H7BrN2 — CID 139384495

IUPAC7-bromo-6-methylpyrrolo[1,2-b]pyridazine
SMILESCc1cc2cccnn2c1Br
InChIInChI=1S/C8H7BrN2/c1-6-5-7-3-2-4-10-11(7)8(6)9/h2-5H,1H3
InChIKeyXQHWINFYIGHYNE-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.41
Rot. Bonds

About 7-bromo-6-methylpyrrolo[1,2-b]pyridazine

7-bromo-6-methylpyrrolo[1,2-b]pyridazine (PubChem CID 139384495) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 7-bromo-6-methylpyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name7-bromo-6-methylpyrrolo[1,2-b]pyridazine
PubChem CID139384495
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name7-bromo-6-methylpyrrolo[1,2-b]pyridazine
SMILESCc1cc2cccnn2c1Br
InChIInChI=1S/C8H7BrN2/c1-6-5-7-3-2-4-10-11(7)8(6)9/h2-5H,1H3
InChIKeyXQHWINFYIGHYNE-UHFFFAOYSA-N
XLogP2.41
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methylpyrrolo[1,2-b]pyridazine?
The IUPAC name of 7-bromo-6-methylpyrrolo[1,2-b]pyridazine (CID 139384495) is 7-bromo-6-methylpyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 7-bromo-6-methylpyrrolo[1,2-b]pyridazine?
The canonical SMILES for 7-bromo-6-methylpyrrolo[1,2-b]pyridazine is Cc1cc2cccnn2c1Br.
What is the InChIKey of 7-bromo-6-methylpyrrolo[1,2-b]pyridazine?
The InChIKey is XQHWINFYIGHYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-6-5-7-3-2-4-10-11(7)8(6)9/h2-5H,1H3.
What are the key properties of 7-bromo-6-methylpyrrolo[1,2-b]pyridazine?
7-bromo-6-methylpyrrolo[1,2-b]pyridazine has a molecular weight of 211.06 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methylpyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 139384495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).