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

C18H13BrCl2N2O3 — CID 10310586

IUPAC4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one
SMILESCOc1ccccc1COc1cnn(-c2c(Cl)cccc2Cl)c(=O)c1Br
InChIInChI=1S/C18H13BrCl2N2O3/c1-25-14-8-3-2-5-11(14)10-26-15-9-22-23(18(24)16(15)19)17-12(20)6-4-7-13(17)21/h2-9H,10H2,1H3
InChIKeyFTHUVLZCZOZQEH-UHFFFAOYSA-N
MW456.12 g/mol
LogP4.89
Rot. Bonds5

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

4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one (PubChem CID 10310586) has the molecular formula C18H13BrCl2N2O3 and a molecular weight of 456.12 g/mol. Its IUPAC name is 4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one
PubChem CID10310586
Molecular FormulaC18H13BrCl2N2O3
Molecular Weight456.12 g/mol
Exact Mass453.95
IUPAC Name4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one
SMILESCOc1ccccc1COc1cnn(-c2c(Cl)cccc2Cl)c(=O)c1Br
InChIInChI=1S/C18H13BrCl2N2O3/c1-25-14-8-3-2-5-11(14)10-26-15-9-22-23(18(24)16(15)19)17-12(20)6-4-7-13(17)21/h2-9H,10H2,1H3
InChIKeyFTHUVLZCZOZQEH-UHFFFAOYSA-N
XLogP4.89
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.12
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one (CID 10310586) is 4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one is COc1ccccc1COc1cnn(-c2c(Cl)cccc2Cl)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one?
The InChIKey is FTHUVLZCZOZQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrCl2N2O3/c1-25-14-8-3-2-5-11(14)10-26-15-9-22-23(18(24)16(15)19)17-12(20)6-4-7-13(17)21/h2-9H,10H2,1H3.
What are the key properties of 4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one?
4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one has a molecular weight of 456.12 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one is sourced from PubChem (CID 10310586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).