6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine

C17H11Cl3N2O — CID 174458908

IUPAC6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine
SMILESCc1ccccc1Oc1nnc(Cl)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl3N2O/c1-10-4-2-3-5-15(10)23-17-13(9-16(20)21-22-17)12-7-6-11(18)8-14(12)19/h2-9H,1H3
InChIKeyPTGQRDUAURCFBT-UHFFFAOYSA-N
MW365.65 g/mol
LogP6.20
Rot. Bonds3

About 6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine

6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine (PubChem CID 174458908) has the molecular formula C17H11Cl3N2O and a molecular weight of 365.65 g/mol. Its IUPAC name is 6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine.

Molecular Properties

Compound Name6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine
PubChem CID174458908
Molecular FormulaC17H11Cl3N2O
Molecular Weight365.65 g/mol
Exact Mass363.99
IUPAC Name6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine
SMILESCc1ccccc1Oc1nnc(Cl)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl3N2O/c1-10-4-2-3-5-15(10)23-17-13(9-16(20)21-22-17)12-7-6-11(18)8-14(12)19/h2-9H,1H3
InChIKeyPTGQRDUAURCFBT-UHFFFAOYSA-N
XLogP6.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine?
The IUPAC name of 6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine (CID 174458908) is 6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine.
What is the SMILES notation for 6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine?
The canonical SMILES for 6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine is Cc1ccccc1Oc1nnc(Cl)cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine?
The InChIKey is PTGQRDUAURCFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O/c1-10-4-2-3-5-15(10)23-17-13(9-16(20)21-22-17)12-7-6-11(18)8-14(12)19/h2-9H,1H3.
What are the key properties of 6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine?
6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine has a molecular weight of 365.65 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,4-dichlorophenyl)-3-(2-methylphenoxy)pyridazine is sourced from PubChem (CID 174458908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).