3-bromo-6-methylpyridazine

C5H5BrN2 — CID 11959086

IUPAC3-bromo-6-methylpyridazine
SMILESCc1ccc(Br)nn1
InChIInChI=1S/C5H5BrN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3
InChIKeyRACIHBXDZONTQJ-UHFFFAOYSA-N
MW173.01 g/mol
LogP1.55
Rot. Bonds

About 3-bromo-6-methylpyridazine

3-bromo-6-methylpyridazine (PubChem CID 11959086) has the molecular formula C5H5BrN2 and a molecular weight of 173.01 g/mol. Its IUPAC name is 3-bromo-6-methylpyridazine.

Molecular Properties

Compound Name3-bromo-6-methylpyridazine
PubChem CID11959086
Molecular FormulaC5H5BrN2
Molecular Weight173.01 g/mol
Exact Mass171.96
IUPAC Name3-bromo-6-methylpyridazine
SMILESCc1ccc(Br)nn1
InChIInChI=1S/C5H5BrN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3
InChIKeyRACIHBXDZONTQJ-UHFFFAOYSA-N
XLogP1.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.01
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methylpyridazine?
The IUPAC name of 3-bromo-6-methylpyridazine (CID 11959086) is 3-bromo-6-methylpyridazine.
What is the SMILES notation for 3-bromo-6-methylpyridazine?
The canonical SMILES for 3-bromo-6-methylpyridazine is Cc1ccc(Br)nn1.
What is the InChIKey of 3-bromo-6-methylpyridazine?
The InChIKey is RACIHBXDZONTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3.
What are the key properties of 3-bromo-6-methylpyridazine?
3-bromo-6-methylpyridazine has a molecular weight of 173.01 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methylpyridazine is sourced from PubChem (CID 11959086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).