8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one

C19H12BrN3O — CID 54006808

IUPAC8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2c(-c2cccc(Br)c2)nn1-c1ccccc1
InChIInChI=1S/C19H12BrN3O/c20-14-7-4-6-13(12-14)17-18-16(10-5-11-21-18)19(24)23(22-17)15-8-2-1-3-9-15/h1-12H
InChIKeyKPLRQEKMVPAHDT-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.21
Rot. Bonds2

About 8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one

8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one (PubChem CID 54006808) has the molecular formula C19H12BrN3O and a molecular weight of 378.23 g/mol. Its IUPAC name is 8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
PubChem CID54006808
Molecular FormulaC19H12BrN3O
Molecular Weight378.23 g/mol
Exact Mass377.02
IUPAC Name8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2c(-c2cccc(Br)c2)nn1-c1ccccc1
InChIInChI=1S/C19H12BrN3O/c20-14-7-4-6-13(12-14)17-18-16(10-5-11-21-18)19(24)23(22-17)15-8-2-1-3-9-15/h1-12H
InChIKeyKPLRQEKMVPAHDT-UHFFFAOYSA-N
XLogP4.21
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one (CID 54006808) is 8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one is O=c1c2cccnc2c(-c2cccc(Br)c2)nn1-c1ccccc1.
What is the InChIKey of 8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one?
The InChIKey is KPLRQEKMVPAHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O/c20-14-7-4-6-13(12-14)17-18-16(10-5-11-21-18)19(24)23(22-17)15-8-2-1-3-9-15/h1-12H.
What are the key properties of 8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one?
8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one has a molecular weight of 378.23 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 54006808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).