5-bromo-3-(2,2-dimethylpropyl)pyridazine

C9H13BrN2 — CID 117106905

IUPAC5-bromo-3-(2,2-dimethylpropyl)pyridazine
SMILESCC(C)(C)Cc1cc(Br)cnn1
InChIInChI=1S/C9H13BrN2/c1-9(2,3)5-8-4-7(10)6-11-12-8/h4,6H,5H2,1-3H3
InChIKeyJBYDZWDZMDBCCO-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.83
Rot. Bonds1

About 5-bromo-3-(2,2-dimethylpropyl)pyridazine

5-bromo-3-(2,2-dimethylpropyl)pyridazine (PubChem CID 117106905) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 5-bromo-3-(2,2-dimethylpropyl)pyridazine.

Molecular Properties

Compound Name5-bromo-3-(2,2-dimethylpropyl)pyridazine
PubChem CID117106905
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name5-bromo-3-(2,2-dimethylpropyl)pyridazine
SMILESCC(C)(C)Cc1cc(Br)cnn1
InChIInChI=1S/C9H13BrN2/c1-9(2,3)5-8-4-7(10)6-11-12-8/h4,6H,5H2,1-3H3
InChIKeyJBYDZWDZMDBCCO-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-3-phenylpyridazine
CID 11042692
5-Bromo-3-(trifluoromethyl)pyridazine
CID 70865783
3,5-Dimethylpyridazine
CID 13262523
Pyridazine, 4-ethyl-6-methyl-
CID 15054356
3-Propylpyridazine
CID 19760644
Pyridazine, 3-n-pentyl-
CID 19760647
3-Butylpyridazine
CID 20081677
4-Bromo-3-methylpyridazine hydrobromide
CID 165647357
5-Bromo-3-methylpyridazine hydrobromide
CID 165761025
3-Isopropylpyridazine
CID 12440034
3-(tert-Butyl)pyridazine
CID 15855507
3-Bromo-phenylpyridazine
CID 117106961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,2-dimethylpropyl)pyridazine?
The IUPAC name of 5-bromo-3-(2,2-dimethylpropyl)pyridazine (CID 117106905) is 5-bromo-3-(2,2-dimethylpropyl)pyridazine.
What is the SMILES notation for 5-bromo-3-(2,2-dimethylpropyl)pyridazine?
The canonical SMILES for 5-bromo-3-(2,2-dimethylpropyl)pyridazine is CC(C)(C)Cc1cc(Br)cnn1.
What is the InChIKey of 5-bromo-3-(2,2-dimethylpropyl)pyridazine?
The InChIKey is JBYDZWDZMDBCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-9(2,3)5-8-4-7(10)6-11-12-8/h4,6H,5H2,1-3H3.
What are the key properties of 5-bromo-3-(2,2-dimethylpropyl)pyridazine?
5-bromo-3-(2,2-dimethylpropyl)pyridazine has a molecular weight of 229.12 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,2-dimethylpropyl)pyridazine is sourced from PubChem (CID 117106905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).