3,6-dichloro-4-hexylpyridazine

C10H14Cl2N2 — CID 18995741

IUPAC3,6-dichloro-4-hexylpyridazine
SMILESCCCCCCc1cc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N2/c1-2-3-4-5-6-8-7-9(11)13-14-10(8)12/h7H,2-6H2,1H3
InChIKeyJJKXMNHMZQMZQS-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.91
Rot. Bonds5

About 3,6-dichloro-4-hexylpyridazine

3,6-dichloro-4-hexylpyridazine (PubChem CID 18995741) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 3,6-dichloro-4-hexylpyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-hexylpyridazine
PubChem CID18995741
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name3,6-dichloro-4-hexylpyridazine
SMILESCCCCCCc1cc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N2/c1-2-3-4-5-6-8-7-9(11)13-14-10(8)12/h7H,2-6H2,1H3
InChIKeyJJKXMNHMZQMZQS-UHFFFAOYSA-N
XLogP3.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.91
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 3,6-dichloro-4-hexylpyridazine?
The IUPAC name of 3,6-dichloro-4-hexylpyridazine (CID 18995741) is 3,6-dichloro-4-hexylpyridazine.
What is the SMILES notation for 3,6-dichloro-4-hexylpyridazine?
The canonical SMILES for 3,6-dichloro-4-hexylpyridazine is CCCCCCc1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-4-hexylpyridazine?
The InChIKey is JJKXMNHMZQMZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-2-3-4-5-6-8-7-9(11)13-14-10(8)12/h7H,2-6H2,1H3.
What are the key properties of 3,6-dichloro-4-hexylpyridazine?
3,6-dichloro-4-hexylpyridazine has a molecular weight of 233.14 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-hexylpyridazine is sourced from PubChem (CID 18995741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).