5-bromo-3-(3-methylnonan-3-yl)pyridazine

C14H23BrN2 — CID 146377366

IUPAC5-bromo-3-(3-methylnonan-3-yl)pyridazine
SMILESCCCCCCC(C)(CC)c1cc(Br)cnn1
InChIInChI=1S/C14H23BrN2/c1-4-6-7-8-9-14(3,5-2)13-10-12(15)11-16-17-13/h10-11H,4-9H2,1-3H3
InChIKeyCZTQHLXWPAJVTP-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.88
Rot. Bonds7

About 5-bromo-3-(3-methylnonan-3-yl)pyridazine

5-bromo-3-(3-methylnonan-3-yl)pyridazine (PubChem CID 146377366) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 5-bromo-3-(3-methylnonan-3-yl)pyridazine.

Molecular Properties

Compound Name5-bromo-3-(3-methylnonan-3-yl)pyridazine
PubChem CID146377366
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name5-bromo-3-(3-methylnonan-3-yl)pyridazine
SMILESCCCCCCC(C)(CC)c1cc(Br)cnn1
InChIInChI=1S/C14H23BrN2/c1-4-6-7-8-9-14(3,5-2)13-10-12(15)11-16-17-13/h10-11H,4-9H2,1-3H3
InChIKeyCZTQHLXWPAJVTP-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-methylnonan-3-yl)pyridazine?
The IUPAC name of 5-bromo-3-(3-methylnonan-3-yl)pyridazine (CID 146377366) is 5-bromo-3-(3-methylnonan-3-yl)pyridazine.
What is the SMILES notation for 5-bromo-3-(3-methylnonan-3-yl)pyridazine?
The canonical SMILES for 5-bromo-3-(3-methylnonan-3-yl)pyridazine is CCCCCCC(C)(CC)c1cc(Br)cnn1.
What is the InChIKey of 5-bromo-3-(3-methylnonan-3-yl)pyridazine?
The InChIKey is CZTQHLXWPAJVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-6-7-8-9-14(3,5-2)13-10-12(15)11-16-17-13/h10-11H,4-9H2,1-3H3.
What are the key properties of 5-bromo-3-(3-methylnonan-3-yl)pyridazine?
5-bromo-3-(3-methylnonan-3-yl)pyridazine has a molecular weight of 299.26 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-methylnonan-3-yl)pyridazine is sourced from PubChem (CID 146377366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).