6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one

C17H11BrCl2N2O — CID 171340334

IUPAC6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(Br)cc2)nn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H11BrCl2N2O/c18-12-6-4-11(5-7-12)16-8-9-17(23)22(21-16)10-13-14(19)2-1-3-15(13)20/h1-9H,10H2
InChIKeyYFIDROBCAIUMSR-UHFFFAOYSA-N
MW410.10 g/mol
LogP5.03
Rot. Bonds3

About 6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one

6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one (PubChem CID 171340334) has the molecular formula C17H11BrCl2N2O and a molecular weight of 410.10 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one
PubChem CID171340334
Molecular FormulaC17H11BrCl2N2O
Molecular Weight410.10 g/mol
Exact Mass407.94
IUPAC Name6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(Br)cc2)nn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H11BrCl2N2O/c18-12-6-4-11(5-7-12)16-8-9-17(23)22(21-16)10-13-14(19)2-1-3-15(13)20/h1-9H,10H2
InChIKeyYFIDROBCAIUMSR-UHFFFAOYSA-N
XLogP5.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.10
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7663425
6-(4-bromophenyl)-2-[(3-nitrophenyl)methyl]pyridazin-3-one
CID 7663565
2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one
CID 51044457
6-(4-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7663524
2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one
CID 8698921
6-(4-bromophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077308
2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one
CID 59849727
6-(4-bromophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077309
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-(4-bromophenyl)pyridazin-3-one
CID 121051087
6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 30850166
N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051054
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46923313

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one (CID 171340334) is 6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one is O=c1ccc(-c2ccc(Br)cc2)nn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one?
The InChIKey is YFIDROBCAIUMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2O/c18-12-6-4-11(5-7-12)16-8-9-17(23)22(21-16)10-13-14(19)2-1-3-15(13)20/h1-9H,10H2.
What are the key properties of 6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one?
6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one has a molecular weight of 410.10 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 171340334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).