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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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).