2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one

C23H20BrN3O3 — CID 10162031

IUPAC2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one
SMILESO=C1C(c2cccc(OCCO)c2)CC(c2ccccn2)=NN1c1ccccc1Br
InChIInChI=1S/C23H20BrN3O3/c24-19-8-1-2-10-22(19)27-23(29)18(15-21(26-27)20-9-3-4-11-25-20)16-6-5-7-17(14-16)30-13-12-28/h1-11,14,18,28H,12-13,15H2
InChIKeyBZWQSFLTPLEUGB-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.14
Rot. Bonds6

About 2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one

2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one (PubChem CID 10162031) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one
PubChem CID10162031
Molecular FormulaC23H20BrN3O3
Molecular Weight466.34 g/mol
Exact Mass465.07
IUPAC Name2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one
SMILESO=C1C(c2cccc(OCCO)c2)CC(c2ccccn2)=NN1c1ccccc1Br
InChIInChI=1S/C23H20BrN3O3/c24-19-8-1-2-10-22(19)27-23(29)18(15-21(26-27)20-9-3-4-11-25-20)16-6-5-7-17(14-16)30-13-12-28/h1-11,14,18,28H,12-13,15H2
InChIKeyBZWQSFLTPLEUGB-UHFFFAOYSA-N
XLogP4.14
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one (CID 10162031) is 2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one is O=C1C(c2cccc(OCCO)c2)CC(c2ccccn2)=NN1c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one?
The InChIKey is BZWQSFLTPLEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c24-19-8-1-2-10-22(19)27-23(29)18(15-21(26-27)20-9-3-4-11-25-20)16-6-5-7-17(14-16)30-13-12-28/h1-11,14,18,28H,12-13,15H2.
What are the key properties of 2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one?
2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one has a molecular weight of 466.34 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-6-pyridin-2-yl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 10162031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).