2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol

C12H9Br2ClN2O2 — CID 59834501

IUPAC2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol
SMILESOCCc1cc(Br)c(Oc2ccc(Cl)nn2)c(Br)c1
InChIInChI=1S/C12H9Br2ClN2O2/c13-8-5-7(3-4-18)6-9(14)12(8)19-11-2-1-10(15)16-17-11/h1-2,5-6,18H,3-4H2
InChIKeyZLVXWWVHBDYACC-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.98
Rot. Bonds4

About 2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol

2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol (PubChem CID 59834501) has the molecular formula C12H9Br2ClN2O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol
PubChem CID59834501
Molecular FormulaC12H9Br2ClN2O2
Molecular Weight408.48 g/mol
Exact Mass405.87
IUPAC Name2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol
SMILESOCCc1cc(Br)c(Oc2ccc(Cl)nn2)c(Br)c1
InChIInChI=1S/C12H9Br2ClN2O2/c13-8-5-7(3-4-18)6-9(14)12(8)19-11-2-1-10(15)16-17-11/h1-2,5-6,18H,3-4H2
InChIKeyZLVXWWVHBDYACC-UHFFFAOYSA-N
XLogP3.98
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol?
The IUPAC name of 2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol (CID 59834501) is 2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol.
What is the SMILES notation for 2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol?
The canonical SMILES for 2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol is OCCc1cc(Br)c(Oc2ccc(Cl)nn2)c(Br)c1.
What is the InChIKey of 2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol?
The InChIKey is ZLVXWWVHBDYACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O2/c13-8-5-7(3-4-18)6-9(14)12(8)19-11-2-1-10(15)16-17-11/h1-2,5-6,18H,3-4H2.
What are the key properties of 2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol?
2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol has a molecular weight of 408.48 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibromo-4-(6-chloropyridazin-3-yl)oxyphenyl]ethanol is sourced from PubChem (CID 59834501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).