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

C13H10Cl2N2O — CID 22940121

IUPAC4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine
SMILESClc1cc(Cl)c(Oc2ccccc2C2CC2)nn1
InChIInChI=1S/C13H10Cl2N2O/c14-10-7-12(15)16-17-13(10)18-11-4-2-1-3-9(11)8-5-6-8/h1-4,7-8H,5-6H2
InChIKeySTDJIMLWBOGUKH-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.45
Rot. Bonds3

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

4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine (PubChem CID 22940121) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine.

Molecular Properties

Compound Name4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine
PubChem CID22940121
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine
SMILESClc1cc(Cl)c(Oc2ccccc2C2CC2)nn1
InChIInChI=1S/C13H10Cl2N2O/c14-10-7-12(15)16-17-13(10)18-11-4-2-1-3-9(11)8-5-6-8/h1-4,7-8H,5-6H2
InChIKeySTDJIMLWBOGUKH-UHFFFAOYSA-N
XLogP4.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine?
The IUPAC name of 4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine (CID 22940121) is 4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine.
What is the SMILES notation for 4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine?
The canonical SMILES for 4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine is Clc1cc(Cl)c(Oc2ccccc2C2CC2)nn1.
What is the InChIKey of 4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine?
The InChIKey is STDJIMLWBOGUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-10-7-12(15)16-17-13(10)18-11-4-2-1-3-9(11)8-5-6-8/h1-4,7-8H,5-6H2.
What are the key properties of 4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine?
4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine has a molecular weight of 281.14 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-(2-cyclopropylphenoxy)pyridazine is sourced from PubChem (CID 22940121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).