5-bromo-2-heptyl-1H-pyridazine

C11H19BrN2 — CID 22412760

IUPAC5-bromo-2-heptyl-1H-pyridazine
SMILESCCCCCCCN1C=CC(Br)=CN1
InChIInChI=1S/C11H19BrN2/c1-2-3-4-5-6-8-14-9-7-11(12)10-13-14/h7,9-10,13H,2-6,8H2,1H3
InChIKeyZAFZYFYANISXNP-UHFFFAOYSA-N
MW259.19 g/mol
LogP3.53
Rot. Bonds6

About 5-bromo-2-heptyl-1H-pyridazine

5-bromo-2-heptyl-1H-pyridazine (PubChem CID 22412760) has the molecular formula C11H19BrN2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 5-bromo-2-heptyl-1H-pyridazine.

Molecular Properties

Compound Name5-bromo-2-heptyl-1H-pyridazine
PubChem CID22412760
Molecular FormulaC11H19BrN2
Molecular Weight259.19 g/mol
Exact Mass258.07
IUPAC Name5-bromo-2-heptyl-1H-pyridazine
SMILESCCCCCCCN1C=CC(Br)=CN1
InChIInChI=1S/C11H19BrN2/c1-2-3-4-5-6-8-14-9-7-11(12)10-13-14/h7,9-10,13H,2-6,8H2,1H3
InChIKeyZAFZYFYANISXNP-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
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-2-heptyl-1H-pyridazine?
The IUPAC name of 5-bromo-2-heptyl-1H-pyridazine (CID 22412760) is 5-bromo-2-heptyl-1H-pyridazine.
What is the SMILES notation for 5-bromo-2-heptyl-1H-pyridazine?
The canonical SMILES for 5-bromo-2-heptyl-1H-pyridazine is CCCCCCCN1C=CC(Br)=CN1.
What is the InChIKey of 5-bromo-2-heptyl-1H-pyridazine?
The InChIKey is ZAFZYFYANISXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2/c1-2-3-4-5-6-8-14-9-7-11(12)10-13-14/h7,9-10,13H,2-6,8H2,1H3.
What are the key properties of 5-bromo-2-heptyl-1H-pyridazine?
5-bromo-2-heptyl-1H-pyridazine has a molecular weight of 259.19 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-heptyl-1H-pyridazine is sourced from PubChem (CID 22412760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).