3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine

C11H13Cl3N2 — CID 21281902

IUPAC3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine
SMILESClc1cc(C2CCCCCC2Cl)c(Cl)nn1
InChIInChI=1S/C11H13Cl3N2/c12-9-5-3-1-2-4-7(9)8-6-10(13)15-16-11(8)14/h6-7,9H,1-5H2
InChIKeyUGRPVLRQKONFBQ-UHFFFAOYSA-N
MW279.60 g/mol
LogP4.44
Rot. Bonds1

About 3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine

3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine (PubChem CID 21281902) has the molecular formula C11H13Cl3N2 and a molecular weight of 279.60 g/mol. Its IUPAC name is 3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine
PubChem CID21281902
Molecular FormulaC11H13Cl3N2
Molecular Weight279.60 g/mol
Exact Mass278.01
IUPAC Name3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine
SMILESClc1cc(C2CCCCCC2Cl)c(Cl)nn1
InChIInChI=1S/C11H13Cl3N2/c12-9-5-3-1-2-4-7(9)8-6-10(13)15-16-11(8)14/h6-7,9H,1-5H2
InChIKeyUGRPVLRQKONFBQ-UHFFFAOYSA-N
XLogP4.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.60
LogP ≤ 54.44
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 3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine (CID 21281902) is 3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine is Clc1cc(C2CCCCCC2Cl)c(Cl)nn1.
What is the InChIKey of 3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine?
The InChIKey is UGRPVLRQKONFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2/c12-9-5-3-1-2-4-7(9)8-6-10(13)15-16-11(8)14/h6-7,9H,1-5H2.
What are the key properties of 3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine?
3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine has a molecular weight of 279.60 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(2-chlorocycloheptyl)pyridazine is sourced from PubChem (CID 21281902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).