5-bromo-3,4-dimethylpyridazine

C6H7BrN2 — CID 83680578

IUPAC5-bromo-3,4-dimethylpyridazine
SMILESCc1nncc(Br)c1C
InChIInChI=1S/C6H7BrN2/c1-4-5(2)9-8-3-6(4)7/h3H,1-2H3
InChIKeyVYVFRPIOUCYGOM-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.86
Rot. Bonds

About 5-bromo-3,4-dimethylpyridazine

5-bromo-3,4-dimethylpyridazine (PubChem CID 83680578) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 5-bromo-3,4-dimethylpyridazine.

Molecular Properties

Compound Name5-bromo-3,4-dimethylpyridazine
PubChem CID83680578
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name5-bromo-3,4-dimethylpyridazine
SMILESCc1nncc(Br)c1C
InChIInChI=1S/C6H7BrN2/c1-4-5(2)9-8-3-6(4)7/h3H,1-2H3
InChIKeyVYVFRPIOUCYGOM-UHFFFAOYSA-N
XLogP1.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dimethylpyridazine?
The IUPAC name of 5-bromo-3,4-dimethylpyridazine (CID 83680578) is 5-bromo-3,4-dimethylpyridazine.
What is the SMILES notation for 5-bromo-3,4-dimethylpyridazine?
The canonical SMILES for 5-bromo-3,4-dimethylpyridazine is Cc1nncc(Br)c1C.
What is the InChIKey of 5-bromo-3,4-dimethylpyridazine?
The InChIKey is VYVFRPIOUCYGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c1-4-5(2)9-8-3-6(4)7/h3H,1-2H3.
What are the key properties of 5-bromo-3,4-dimethylpyridazine?
5-bromo-3,4-dimethylpyridazine has a molecular weight of 187.04 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dimethylpyridazine is sourced from PubChem (CID 83680578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).