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

C17H10Br2ClFN2O2 — CID 135870391

IUPAC2,6-dibromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol
SMILESOc1c(Br)cc(-c2ccc(OCc3ccc(F)cc3Cl)nn2)cc1Br
InChIInChI=1S/C17H10Br2ClFN2O2/c18-12-5-10(6-13(19)17(12)24)15-3-4-16(23-22-15)25-8-9-1-2-11(21)7-14(9)20/h1-7,24H,8H2
InChIKeyDFRZEOFMNHUYDE-UHFFFAOYSA-N
MW488.54 g/mol
LogP5.75
Rot. Bonds4

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

2,6-dibromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol (PubChem CID 135870391) has the molecular formula C17H10Br2ClFN2O2 and a molecular weight of 488.54 g/mol. Its IUPAC name is 2,6-dibromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol
PubChem CID135870391
Molecular FormulaC17H10Br2ClFN2O2
Molecular Weight488.54 g/mol
Exact Mass485.88
IUPAC Name2,6-dibromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol
SMILESOc1c(Br)cc(-c2ccc(OCc3ccc(F)cc3Cl)nn2)cc1Br
InChIInChI=1S/C17H10Br2ClFN2O2/c18-12-5-10(6-13(19)17(12)24)15-3-4-16(23-22-15)25-8-9-1-2-11(21)7-14(9)20/h1-7,24H,8H2
InChIKeyDFRZEOFMNHUYDE-UHFFFAOYSA-N
XLogP5.75
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 55.75
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-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol?
The IUPAC name of 2,6-dibromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol (CID 135870391) is 2,6-dibromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol?
The canonical SMILES for 2,6-dibromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol is Oc1c(Br)cc(-c2ccc(OCc3ccc(F)cc3Cl)nn2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol?
The InChIKey is DFRZEOFMNHUYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2ClFN2O2/c18-12-5-10(6-13(19)17(12)24)15-3-4-16(23-22-15)25-8-9-1-2-11(21)7-14(9)20/h1-7,24H,8H2.
What are the key properties of 2,6-dibromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol?
2,6-dibromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol has a molecular weight of 488.54 g/mol, XLogP of 5.75, 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-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol is sourced from PubChem (CID 135870391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).