3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one

C17H9BrN2O — CID 2767328

IUPAC3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3ccc(Br)cc3)cc21
InChIInChI=1S/C17H9BrN2O/c18-11-7-5-10(6-8-11)15-9-14-16(20-19-15)12-3-1-2-4-13(12)17(14)21/h1-9H
InChIKeyQHYRELLXJDJBHO-UHFFFAOYSA-N
MW337.18 g/mol
LogP4.12
Rot. Bonds1

About 3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one

3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one (PubChem CID 2767328) has the molecular formula C17H9BrN2O and a molecular weight of 337.18 g/mol. Its IUPAC name is 3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one
PubChem CID2767328
Molecular FormulaC17H9BrN2O
Molecular Weight337.18 g/mol
Exact Mass335.99
IUPAC Name3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3ccc(Br)cc3)cc21
InChIInChI=1S/C17H9BrN2O/c18-11-7-5-10(6-8-11)15-9-14-16(20-19-15)12-3-1-2-4-13(12)17(14)21/h1-9H
InChIKeyQHYRELLXJDJBHO-UHFFFAOYSA-N
XLogP4.12
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-5H-indeno[1,2-c]pyridazin-5-one
CID 379341
3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one
CID 379337
3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2767330
3-(2-nitrophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 10357601
4-phenyl-5H-indeno[1,2-c]pyridazin-5-one
CID 10106561
3-(4-Chlorophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 379339
3-(4-nitrophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 379340
3-(4-fluorophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2765447
3-(3-chlorophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2767331
3-(2-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2769183
3-(3-bromophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2834140
3-(3-(trifluoromethyl)phenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 6404472

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one (CID 2767328) is 3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(-c3ccc(Br)cc3)cc21.
What is the InChIKey of 3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one?
The InChIKey is QHYRELLXJDJBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrN2O/c18-11-7-5-10(6-8-11)15-9-14-16(20-19-15)12-3-1-2-4-13(12)17(14)21/h1-9H.
What are the key properties of 3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one?
3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one has a molecular weight of 337.18 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 2767328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).