3-(3-bromobutan-2-yl)pyridazine

C8H11BrN2 — CID 63203596

IUPAC3-(3-bromobutan-2-yl)pyridazine
SMILESCC(Br)C(C)c1cccnn1
InChIInChI=1S/C8H11BrN2/c1-6(7(2)9)8-4-3-5-10-11-8/h3-7H,1-2H3
InChIKeyTZXXXVUQCMEDQN-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.36
Rot. Bonds2

About 3-(3-bromobutan-2-yl)pyridazine

3-(3-bromobutan-2-yl)pyridazine (PubChem CID 63203596) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 3-(3-bromobutan-2-yl)pyridazine.

Molecular Properties

Compound Name3-(3-bromobutan-2-yl)pyridazine
PubChem CID63203596
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name3-(3-bromobutan-2-yl)pyridazine
SMILESCC(Br)C(C)c1cccnn1
InChIInChI=1S/C8H11BrN2/c1-6(7(2)9)8-4-3-5-10-11-8/h3-7H,1-2H3
InChIKeyTZXXXVUQCMEDQN-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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 3-(3-bromobutan-2-yl)pyridazine?
The IUPAC name of 3-(3-bromobutan-2-yl)pyridazine (CID 63203596) is 3-(3-bromobutan-2-yl)pyridazine.
What is the SMILES notation for 3-(3-bromobutan-2-yl)pyridazine?
The canonical SMILES for 3-(3-bromobutan-2-yl)pyridazine is CC(Br)C(C)c1cccnn1.
What is the InChIKey of 3-(3-bromobutan-2-yl)pyridazine?
The InChIKey is TZXXXVUQCMEDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-6(7(2)9)8-4-3-5-10-11-8/h3-7H,1-2H3.
What are the key properties of 3-(3-bromobutan-2-yl)pyridazine?
3-(3-bromobutan-2-yl)pyridazine has a molecular weight of 215.09 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromobutan-2-yl)pyridazine is sourced from PubChem (CID 63203596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).