6-methoxy-5-nitro-1H-indazole

C8H7N3O3 — CID 15278630

IUPAC6-methoxy-5-nitro-1H-indazole
SMILESCOc1cc2[nH]ncc2cc1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O3/c1-14-8-3-6-5(4-9-10-6)2-7(8)11(12)13/h2-4H,1H3,(H,9,10)
InChIKeyQULAONDBWZZTOI-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.48
Rot. Bonds2

About 6-methoxy-5-nitro-1H-indazole

6-methoxy-5-nitro-1H-indazole (PubChem CID 15278630) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 6-methoxy-5-nitro-1H-indazole.

Molecular Properties

Compound Name6-methoxy-5-nitro-1H-indazole
PubChem CID15278630
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name6-methoxy-5-nitro-1H-indazole
SMILESCOc1cc2[nH]ncc2cc1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O3/c1-14-8-3-6-5(4-9-10-6)2-7(8)11(12)13/h2-4H,1H3,(H,9,10)
InChIKeyQULAONDBWZZTOI-UHFFFAOYSA-N
XLogP1.48
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-Methoxy-1H-indazole
CID 24729333
6-Methoxy-1H-indazole
CID 12639202
6-(Trifluoromethoxy)-1H-indazole
CID 13712997
4-fluoro-6-methoxy-1H-indazole
CID 24728522
6-Methoxy-1H-indazol-5-amine
CID 27274712
4-methoxy-5-nitro-1H-indazole
CID 71758449
6-methoxy-2-methyl-2H-indazol-5-amine
CID 117110287
7-fluoro-6-methoxy-1H-indazole
CID 119006359
3-(4-methoxyphenyl)-5-nitro-1H-indazole
CID 22479854
5-Methyl-3-(4-methoxy-3-nitrophenyl)pyrazole
CID 13170686
4-Methoxy-6-methyl-1H-indazole
CID 24728814
6-Fluoro-4-methoxy-1H-indazole
CID 24728821

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-nitro-1H-indazole?
The IUPAC name of 6-methoxy-5-nitro-1H-indazole (CID 15278630) is 6-methoxy-5-nitro-1H-indazole.
What is the SMILES notation for 6-methoxy-5-nitro-1H-indazole?
The canonical SMILES for 6-methoxy-5-nitro-1H-indazole is COc1cc2[nH]ncc2cc1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-5-nitro-1H-indazole?
The InChIKey is QULAONDBWZZTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-14-8-3-6-5(4-9-10-6)2-7(8)11(12)13/h2-4H,1H3,(H,9,10).
What are the key properties of 6-methoxy-5-nitro-1H-indazole?
6-methoxy-5-nitro-1H-indazole has a molecular weight of 193.16 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-nitro-1H-indazole is sourced from PubChem (CID 15278630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).