4-(bromomethyl)-3-ethyl-6-methylpyridazine

C8H11BrN2 — CID 104671100

IUPAC4-(bromomethyl)-3-ethyl-6-methylpyridazine
SMILESCCc1nnc(C)cc1CBr
InChIInChI=1S/C8H11BrN2/c1-3-8-7(5-9)4-6(2)10-11-8/h4H,3,5H2,1-2H3
InChIKeyOVKRYWVLZCTBIH-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.24
Rot. Bonds2

About 4-(bromomethyl)-3-ethyl-6-methylpyridazine

4-(bromomethyl)-3-ethyl-6-methylpyridazine (PubChem CID 104671100) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 4-(bromomethyl)-3-ethyl-6-methylpyridazine.

Molecular Properties

Compound Name4-(bromomethyl)-3-ethyl-6-methylpyridazine
PubChem CID104671100
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name4-(bromomethyl)-3-ethyl-6-methylpyridazine
SMILESCCc1nnc(C)cc1CBr
InChIInChI=1S/C8H11BrN2/c1-3-8-7(5-9)4-6(2)10-11-8/h4H,3,5H2,1-2H3
InChIKeyOVKRYWVLZCTBIH-UHFFFAOYSA-N
XLogP2.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-ethyl-6-methylpyridazine?
The IUPAC name of 4-(bromomethyl)-3-ethyl-6-methylpyridazine (CID 104671100) is 4-(bromomethyl)-3-ethyl-6-methylpyridazine.
What is the SMILES notation for 4-(bromomethyl)-3-ethyl-6-methylpyridazine?
The canonical SMILES for 4-(bromomethyl)-3-ethyl-6-methylpyridazine is CCc1nnc(C)cc1CBr.
What is the InChIKey of 4-(bromomethyl)-3-ethyl-6-methylpyridazine?
The InChIKey is OVKRYWVLZCTBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-3-8-7(5-9)4-6(2)10-11-8/h4H,3,5H2,1-2H3.
What are the key properties of 4-(bromomethyl)-3-ethyl-6-methylpyridazine?
4-(bromomethyl)-3-ethyl-6-methylpyridazine has a molecular weight of 215.09 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-ethyl-6-methylpyridazine is sourced from PubChem (CID 104671100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).