6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one

C19H17BrN2O — CID 8698923

IUPAC6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
SMILESCc1ccc(C)c(Cn2nc(-c3cccc(Br)c3)ccc2=O)c1
InChIInChI=1S/C19H17BrN2O/c1-13-6-7-14(2)16(10-13)12-22-19(23)9-8-18(21-22)15-4-3-5-17(20)11-15/h3-11H,12H2,1-2H3
InChIKeyMYEARBAOUNGRDW-UHFFFAOYSA-N
MW369.26 g/mol
LogP4.34
Rot. Bonds3

About 6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one

6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one (PubChem CID 8698923) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
PubChem CID8698923
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC Name6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
SMILESCc1ccc(C)c(Cn2nc(-c3cccc(Br)c3)ccc2=O)c1
InChIInChI=1S/C19H17BrN2O/c1-13-6-7-14(2)16(10-13)12-22-19(23)9-8-18(21-22)15-4-3-5-17(20)11-15/h3-11H,12H2,1-2H3
InChIKeyMYEARBAOUNGRDW-UHFFFAOYSA-N
XLogP4.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one
CID 13235879
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 27374334
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 7659740
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 16800195
6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7659757
6-(4-bromophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077308
6-(3,4-dimethylphenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 27374986
ethyl N-[3-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16747373
ethyl 4-[2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetyl]piperazine-1-carboxylate
CID 41376301
2-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]acetic acid
CID 56770636
ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate
CID 100785538
6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one
CID 51363277

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one (CID 8698923) is 6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one is Cc1ccc(C)c(Cn2nc(-c3cccc(Br)c3)ccc2=O)c1.
What is the InChIKey of 6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one?
The InChIKey is MYEARBAOUNGRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O/c1-13-6-7-14(2)16(10-13)12-22-19(23)9-8-18(21-22)15-4-3-5-17(20)11-15/h3-11H,12H2,1-2H3.
What are the key properties of 6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one?
6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one has a molecular weight of 369.26 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 8698923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).