4-methoxy-5-nitro-1H-indazole

C8H7N3O3 — CID 71758449

IUPAC4-methoxy-5-nitro-1H-indazole
SMILESCOc1c([N+](=O)[O-])ccc2[nH]ncc12
InChIInChI=1S/C8H7N3O3/c1-14-8-5-4-9-10-6(5)2-3-7(8)11(12)13/h2-4H,1H3,(H,9,10)
InChIKeyGSFSIGXIWZWYOK-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.48
Rot. Bonds2

About 4-methoxy-5-nitro-1H-indazole

4-methoxy-5-nitro-1H-indazole (PubChem CID 71758449) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 4-methoxy-5-nitro-1H-indazole.

Molecular Properties

Compound Name4-methoxy-5-nitro-1H-indazole
PubChem CID71758449
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name4-methoxy-5-nitro-1H-indazole
SMILESCOc1c([N+](=O)[O-])ccc2[nH]ncc12
InChIInChI=1S/C8H7N3O3/c1-14-8-5-4-9-10-6(5)2-3-7(8)11(12)13/h2-4H,1H3,(H,9,10)
InChIKeyGSFSIGXIWZWYOK-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-methoxy-5-nitro-1H-indazole
CID 15278630
6-Methoxy-1H-indazol-5-amine
CID 27274712
7-fluoro-4-methoxy-1H-indazole
CID 59272977
4-Methoxy-1H-indazol-7-amine
CID 76846040
4-Methoxy-6-methyl-1H-indazole
CID 24728814
1h-Indazole,4-(2-fluoro-4-nitrophenoxy)-
CID 17979311
3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine
CID 22261036
6-Fluoro-4-methoxy-1H-indazole
CID 24728821
4-[(2-fluoro-4-iodophenyl)methyl]-6-methoxy-5-nitro-1H-indazole
CID 58374340
3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine
CID 89206367

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-nitro-1H-indazole?
The IUPAC name of 4-methoxy-5-nitro-1H-indazole (CID 71758449) is 4-methoxy-5-nitro-1H-indazole.
What is the SMILES notation for 4-methoxy-5-nitro-1H-indazole?
The canonical SMILES for 4-methoxy-5-nitro-1H-indazole is COc1c([N+](=O)[O-])ccc2[nH]ncc12.
What is the InChIKey of 4-methoxy-5-nitro-1H-indazole?
The InChIKey is GSFSIGXIWZWYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-14-8-5-4-9-10-6(5)2-3-7(8)11(12)13/h2-4H,1H3,(H,9,10).
What are the key properties of 4-methoxy-5-nitro-1H-indazole?
4-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 4-methoxy-5-nitro-1H-indazole is sourced from PubChem (CID 71758449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).