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

C17H9N3O3 — CID 10357601

IUPAC3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3ccccc3[N+](=O)[O-])cc21
InChIInChI=1S/C17H9N3O3/c21-17-11-6-2-1-5-10(11)16-13(17)9-14(18-19-16)12-7-3-4-8-15(12)20(22)23/h1-9H
InChIKeyOHLLSBNOXCQCPO-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.26
Rot. Bonds2

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

3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one (PubChem CID 10357601) has the molecular formula C17H9N3O3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one
PubChem CID10357601
Molecular FormulaC17H9N3O3
Molecular Weight303.28 g/mol
Exact Mass303.06
IUPAC Name3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3ccccc3[N+](=O)[O-])cc21
InChIInChI=1S/C17H9N3O3/c21-17-11-6-2-1-5-10(11)16-13(17)9-14(18-19-16)12-7-3-4-8-15(12)20(22)23/h1-9H
InChIKeyOHLLSBNOXCQCPO-UHFFFAOYSA-N
XLogP3.26
TPSA85.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-(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-(4-bromophenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2767328
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
3-(3-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 6404473

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one (CID 10357601) is 3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(-c3ccccc3[N+](=O)[O-])cc21.
What is the InChIKey of 3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one?
The InChIKey is OHLLSBNOXCQCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9N3O3/c21-17-11-6-2-1-5-10(11)16-13(17)9-14(18-19-16)12-7-3-4-8-15(12)20(22)23/h1-9H.
What are the key properties of 3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one?
3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one has a molecular weight of 303.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenyl)indeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 10357601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).