2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol

C17H11Br3N2O2 — CID 135870331

IUPAC2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol
SMILESOc1c(Br)cc(-c2ccc(OCc3cccc(Br)c3)nn2)cc1Br
InChIInChI=1S/C17H11Br3N2O2/c18-12-3-1-2-10(6-12)9-24-16-5-4-15(21-22-16)11-7-13(19)17(23)14(20)8-11/h1-8,23H,9H2
InChIKeyZNODKJLDASMMCE-UHFFFAOYSA-N
MW515.00 g/mol
LogP5.72
Rot. Bonds4

About 2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol

2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol (PubChem CID 135870331) has the molecular formula C17H11Br3N2O2 and a molecular weight of 515.00 g/mol. Its IUPAC name is 2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol
PubChem CID135870331
Molecular FormulaC17H11Br3N2O2
Molecular Weight515.00 g/mol
Exact Mass511.84
IUPAC Name2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol
SMILESOc1c(Br)cc(-c2ccc(OCc3cccc(Br)c3)nn2)cc1Br
InChIInChI=1S/C17H11Br3N2O2/c18-12-3-1-2-10(6-12)9-24-16-5-4-15(21-22-16)11-7-13(19)17(23)14(20)8-11/h1-8,23H,9H2
InChIKeyZNODKJLDASMMCE-UHFFFAOYSA-N
XLogP5.72
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.00
LogP ≤ 55.72
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-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol?
The IUPAC name of 2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol (CID 135870331) is 2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol?
The canonical SMILES for 2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol is Oc1c(Br)cc(-c2ccc(OCc3cccc(Br)c3)nn2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol?
The InChIKey is ZNODKJLDASMMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br3N2O2/c18-12-3-1-2-10(6-12)9-24-16-5-4-15(21-22-16)11-7-13(19)17(23)14(20)8-11/h1-8,23H,9H2.
What are the key properties of 2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol?
2,6-dibromo-4-[6-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol has a molecular weight of 515.00 g/mol, XLogP of 5.72, 4 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-[(3-bromophenyl)methoxy]pyridazin-3-yl]phenol is sourced from PubChem (CID 135870331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).