6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one

C11H11BrN2O — CID 59232421

IUPAC6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(c2ccc(Br)cc2)CCC1=O
InChIInChI=1S/C11H11BrN2O/c1-14-11(15)7-6-10(13-14)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyLLSHFVSTBZJGDZ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.41
Rot. Bonds1

About 6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one

6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 59232421) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID59232421
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(c2ccc(Br)cc2)CCC1=O
InChIInChI=1S/C11H11BrN2O/c1-14-11(15)7-6-10(13-14)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyLLSHFVSTBZJGDZ-UHFFFAOYSA-N
XLogP2.41
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one (CID 59232421) is 6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(c2ccc(Br)cc2)CCC1=O.
What is the InChIKey of 6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is LLSHFVSTBZJGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-14-11(15)7-6-10(13-14)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one?
6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 267.13 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 59232421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).