2-nitroindolo[1,2-b]indazol-11-one

C14H7N3O3 — CID 11149757

IUPAC2-nitroindolo[1,2-b]indazol-11-one
SMILESO=C1c2cc([N+](=O)[O-])ccc2-n2nc3ccccc3c21
InChIInChI=1S/C14H7N3O3/c18-14-10-7-8(17(19)20)5-6-12(10)16-13(14)9-3-1-2-4-11(9)15-16/h1-7H
InChIKeyOSIFAGKNSNQNAG-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.48
Rot. Bonds1

About 2-nitroindolo[1,2-b]indazol-11-one

2-nitroindolo[1,2-b]indazol-11-one (PubChem CID 11149757) has the molecular formula C14H7N3O3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-nitroindolo[1,2-b]indazol-11-one.

Molecular Properties

Compound Name2-nitroindolo[1,2-b]indazol-11-one
PubChem CID11149757
Molecular FormulaC14H7N3O3
Molecular Weight265.23 g/mol
Exact Mass265.05
IUPAC Name2-nitroindolo[1,2-b]indazol-11-one
SMILESO=C1c2cc([N+](=O)[O-])ccc2-n2nc3ccccc3c21
InChIInChI=1S/C14H7N3O3/c18-14-10-7-8(17(19)20)5-6-12(10)16-13(14)9-3-1-2-4-11(9)15-16/h1-7H
InChIKeyOSIFAGKNSNQNAG-UHFFFAOYSA-N
XLogP2.48
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-11H-indolo[1,2-b]indazole
CID 11425243
5-nitro-2-(4-oxo-1,2,3-benzotriazin-3-yl)benzonitrile
CID 163338883
1-(2-chloro-4-nitrophenyl)benzotriazole
CID 9212209
5-nitro-2-[2-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 19370940
3-(2-methyl-4-nitrophenyl)-2-phenylquinazolin-4-one
CID 1107668
2-(2-chloro-5-nitrophenyl)-4-methylphthalazin-1-one
CID 22295506
6-nitro-1-phenylindole-2,3-dione
CID 2750946
1-(2,4-dinitrophenyl)-5-phenyl-3-(4-phenylphenyl)pyrazole
CID 23583323
2-(benzotriazol-1-yl)-5-nitroaniline
CID 55080350
2-(4-nitro-2-pyrrolidin-1-ylphenyl)-3H-quinazolin-4-one
CID 168514605
3,6-dinitro-1-phenylindazole
CID 13221052
3-nitroacridin-9-amine
CID 26592

Frequently Asked Questions

What is the IUPAC name of 2-nitroindolo[1,2-b]indazol-11-one?
The IUPAC name of 2-nitroindolo[1,2-b]indazol-11-one (CID 11149757) is 2-nitroindolo[1,2-b]indazol-11-one.
What is the SMILES notation for 2-nitroindolo[1,2-b]indazol-11-one?
The canonical SMILES for 2-nitroindolo[1,2-b]indazol-11-one is O=C1c2cc([N+](=O)[O-])ccc2-n2nc3ccccc3c21.
What is the InChIKey of 2-nitroindolo[1,2-b]indazol-11-one?
The InChIKey is OSIFAGKNSNQNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N3O3/c18-14-10-7-8(17(19)20)5-6-12(10)16-13(14)9-3-1-2-4-11(9)15-16/h1-7H.
What are the key properties of 2-nitroindolo[1,2-b]indazol-11-one?
2-nitroindolo[1,2-b]indazol-11-one has a molecular weight of 265.23 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroindolo[1,2-b]indazol-11-one is sourced from PubChem (CID 11149757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).