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

C21H16BrN3O — CID 10158220

IUPAC2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one
SMILESO=C1C(c2ccccc2)CC(c2cccnc2)=NN1c1ccccc1Br
InChIInChI=1S/C21H16BrN3O/c22-18-10-4-5-11-20(18)25-21(26)17(15-7-2-1-3-8-15)13-19(24-25)16-9-6-12-23-14-16/h1-12,14,17H,13H2
InChIKeyNDNULXNKTKWWEI-UHFFFAOYSA-N
MW406.28 g/mol
LogP4.77
Rot. Bonds3

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

2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one (PubChem CID 10158220) has the molecular formula C21H16BrN3O and a molecular weight of 406.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one
PubChem CID10158220
Molecular FormulaC21H16BrN3O
Molecular Weight406.28 g/mol
Exact Mass405.05
IUPAC Name2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one
SMILESO=C1C(c2ccccc2)CC(c2cccnc2)=NN1c1ccccc1Br
InChIInChI=1S/C21H16BrN3O/c22-18-10-4-5-11-20(18)25-21(26)17(15-7-2-1-3-8-15)13-19(24-25)16-9-6-12-23-14-16/h1-12,14,17H,13H2
InChIKeyNDNULXNKTKWWEI-UHFFFAOYSA-N
XLogP4.77
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one (CID 10158220) is 2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one is O=C1C(c2ccccc2)CC(c2cccnc2)=NN1c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one?
The InChIKey is NDNULXNKTKWWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O/c22-18-10-4-5-11-20(18)25-21(26)17(15-7-2-1-3-8-15)13-19(24-25)16-9-6-12-23-14-16/h1-12,14,17H,13H2.
What are the key properties of 2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one?
2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one has a molecular weight of 406.28 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 10158220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).