4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one

C17H9BrCl2F2N2O2 — CID 10288541

IUPAC4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccc(F)c(F)c2)cnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H9BrCl2F2N2O2/c18-15-14(26-8-9-4-5-12(21)13(22)6-9)7-23-24(17(15)25)16-10(19)2-1-3-11(16)20/h1-7H,8H2
InChIKeyBCUBBWKUZKBCOJ-UHFFFAOYSA-N
MW462.08 g/mol
LogP5.16
Rot. Bonds4

About 4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one

4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one (PubChem CID 10288541) has the molecular formula C17H9BrCl2F2N2O2 and a molecular weight of 462.08 g/mol. Its IUPAC name is 4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one
PubChem CID10288541
Molecular FormulaC17H9BrCl2F2N2O2
Molecular Weight462.08 g/mol
Exact Mass459.92
IUPAC Name4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccc(F)c(F)c2)cnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H9BrCl2F2N2O2/c18-15-14(26-8-9-4-5-12(21)13(22)6-9)7-23-24(17(15)25)16-10(19)2-1-3-11(16)20/h1-7H,8H2
InChIKeyBCUBBWKUZKBCOJ-UHFFFAOYSA-N
XLogP5.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.08
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one (CID 10288541) is 4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one is O=c1c(Br)c(OCc2ccc(F)c(F)c2)cnn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one?
The InChIKey is BCUBBWKUZKBCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrCl2F2N2O2/c18-15-14(26-8-9-4-5-12(21)13(22)6-9)7-23-24(17(15)25)16-10(19)2-1-3-11(16)20/h1-7H,8H2.
What are the key properties of 4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one?
4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one has a molecular weight of 462.08 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one is sourced from PubChem (CID 10288541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).