5-bromo-7-nitro-3-nitroso-1H-indol-2-ol

C8H4BrN3O4 — CID 135546519

IUPAC5-bromo-7-nitro-3-nitroso-1H-indol-2-ol
SMILESO=Nc1c(O)[nH]c2c([N+](=O)[O-])cc(Br)cc12
InChIInChI=1S/C8H4BrN3O4/c9-3-1-4-6(5(2-3)12(15)16)10-8(13)7(4)11-14/h1-2,10,13H
InChIKeyZUGRNVPGJRYEHU-UHFFFAOYSA-N
MW286.04 g/mol
LogP2.94
Rot. Bonds2

About 5-bromo-7-nitro-3-nitroso-1H-indol-2-ol

5-bromo-7-nitro-3-nitroso-1H-indol-2-ol (PubChem CID 135546519) has the molecular formula C8H4BrN3O4 and a molecular weight of 286.04 g/mol. Its IUPAC name is 5-bromo-7-nitro-3-nitroso-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-7-nitro-3-nitroso-1H-indol-2-ol
PubChem CID135546519
Molecular FormulaC8H4BrN3O4
Molecular Weight286.04 g/mol
Exact Mass284.94
IUPAC Name5-bromo-7-nitro-3-nitroso-1H-indol-2-ol
SMILESO=Nc1c(O)[nH]c2c([N+](=O)[O-])cc(Br)cc12
InChIInChI=1S/C8H4BrN3O4/c9-3-1-4-6(5(2-3)12(15)16)10-8(13)7(4)11-14/h1-2,10,13H
InChIKeyZUGRNVPGJRYEHU-UHFFFAOYSA-N
XLogP2.94
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.04
LogP ≤ 52.94
H-Bond Donors ≤ 52
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

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3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol
CID 3465048
6-bromo-5-methyl-3-nitroso-1H-indol-2-ol
CID 675822
1,3,5-trinitro-2-nitrosobenzene
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3-bromo-7,9-dinitro-10H-benzo[b][1,8]naphthyridin-5-one
CID 2306342
4-bromo-2-nitronaphthalen-1-ol
CID 11572534
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135604353
5-bromo-3-fluoro-7-nitro-2H-indazole
CID 171544924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-nitro-3-nitroso-1H-indol-2-ol?
The IUPAC name of 5-bromo-7-nitro-3-nitroso-1H-indol-2-ol (CID 135546519) is 5-bromo-7-nitro-3-nitroso-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-7-nitro-3-nitroso-1H-indol-2-ol?
The canonical SMILES for 5-bromo-7-nitro-3-nitroso-1H-indol-2-ol is O=Nc1c(O)[nH]c2c([N+](=O)[O-])cc(Br)cc12.
What is the InChIKey of 5-bromo-7-nitro-3-nitroso-1H-indol-2-ol?
The InChIKey is ZUGRNVPGJRYEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN3O4/c9-3-1-4-6(5(2-3)12(15)16)10-8(13)7(4)11-14/h1-2,10,13H.
What are the key properties of 5-bromo-7-nitro-3-nitroso-1H-indol-2-ol?
5-bromo-7-nitro-3-nitroso-1H-indol-2-ol has a molecular weight of 286.04 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-nitro-3-nitroso-1H-indol-2-ol is sourced from PubChem (CID 135546519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).