3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline

C11H6Cl3F2N3O — CID 153374489

IUPAC3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline
SMILESNc1cc(Cl)c(Oc2cc(C(F)F)c(Cl)nn2)c(Cl)c1
InChIInChI=1S/C11H6Cl3F2N3O/c12-6-1-4(17)2-7(13)9(6)20-8-3-5(11(15)16)10(14)19-18-8/h1-3,11H,17H2
InChIKeyIHSGTQLLMPQXAW-UHFFFAOYSA-N
MW340.54 g/mol
LogP4.75
Rot. Bonds3

About 3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline

3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline (PubChem CID 153374489) has the molecular formula C11H6Cl3F2N3O and a molecular weight of 340.54 g/mol. Its IUPAC name is 3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline.

Molecular Properties

Compound Name3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline
PubChem CID153374489
Molecular FormulaC11H6Cl3F2N3O
Molecular Weight340.54 g/mol
Exact Mass338.95
IUPAC Name3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline
SMILESNc1cc(Cl)c(Oc2cc(C(F)F)c(Cl)nn2)c(Cl)c1
InChIInChI=1S/C11H6Cl3F2N3O/c12-6-1-4(17)2-7(13)9(6)20-8-3-5(11(15)16)10(14)19-18-8/h1-3,11H,17H2
InChIKeyIHSGTQLLMPQXAW-UHFFFAOYSA-N
XLogP4.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline?
The IUPAC name of 3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline (CID 153374489) is 3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline.
What is the SMILES notation for 3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline?
The canonical SMILES for 3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline is Nc1cc(Cl)c(Oc2cc(C(F)F)c(Cl)nn2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline?
The InChIKey is IHSGTQLLMPQXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3F2N3O/c12-6-1-4(17)2-7(13)9(6)20-8-3-5(11(15)16)10(14)19-18-8/h1-3,11H,17H2.
What are the key properties of 3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline?
3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline has a molecular weight of 340.54 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[6-chloro-5-(difluoromethyl)pyridazin-3-yl]oxyaniline is sourced from PubChem (CID 153374489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).