2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol

C18H12Br2Cl2N2O2 — CID 135870334

IUPAC2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol
SMILESOc1c(Br)cc(-c2ccc(OCCc3cccc(Cl)c3Cl)nn2)cc1Br
InChIInChI=1S/C18H12Br2Cl2N2O2/c19-12-8-11(9-13(20)18(12)25)15-4-5-16(24-23-15)26-7-6-10-2-1-3-14(21)17(10)22/h1-5,8-9,25H,6-7H2
InChIKeyBWPILFXRZLLIAX-UHFFFAOYSA-N
MW519.02 g/mol
LogP6.30
Rot. Bonds5

About 2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol

2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol (PubChem CID 135870334) has the molecular formula C18H12Br2Cl2N2O2 and a molecular weight of 519.02 g/mol. Its IUPAC name is 2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol
PubChem CID135870334
Molecular FormulaC18H12Br2Cl2N2O2
Molecular Weight519.02 g/mol
Exact Mass515.86
IUPAC Name2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol
SMILESOc1c(Br)cc(-c2ccc(OCCc3cccc(Cl)c3Cl)nn2)cc1Br
InChIInChI=1S/C18H12Br2Cl2N2O2/c19-12-8-11(9-13(20)18(12)25)15-4-5-16(24-23-15)26-7-6-10-2-1-3-14(21)17(10)22/h1-5,8-9,25H,6-7H2
InChIKeyBWPILFXRZLLIAX-UHFFFAOYSA-N
XLogP6.30
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.02
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol?
The IUPAC name of 2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol (CID 135870334) is 2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol?
The canonical SMILES for 2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol is Oc1c(Br)cc(-c2ccc(OCCc3cccc(Cl)c3Cl)nn2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol?
The InChIKey is BWPILFXRZLLIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2Cl2N2O2/c19-12-8-11(9-13(20)18(12)25)15-4-5-16(24-23-15)26-7-6-10-2-1-3-14(21)17(10)22/h1-5,8-9,25H,6-7H2.
What are the key properties of 2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol?
2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol has a molecular weight of 519.02 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[6-[2-(2,3-dichlorophenyl)ethoxy]pyridazin-3-yl]phenol is sourced from PubChem (CID 135870334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).