6-ethenyl-1-methyl-7-nitroindazole

C10H9N3O2 — CID 137443537

IUPAC6-ethenyl-1-methyl-7-nitroindazole
SMILESC=Cc1ccc2cnn(C)c2c1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O2/c1-3-7-4-5-8-6-11-12(2)9(8)10(7)13(14)15/h3-6H,1H2,2H3
InChIKeyCXICGQQIUGBBAT-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.12
Rot. Bonds2

About 6-ethenyl-1-methyl-7-nitroindazole

6-ethenyl-1-methyl-7-nitroindazole (PubChem CID 137443537) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-ethenyl-1-methyl-7-nitroindazole.

Molecular Properties

Compound Name6-ethenyl-1-methyl-7-nitroindazole
PubChem CID137443537
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name6-ethenyl-1-methyl-7-nitroindazole
SMILESC=Cc1ccc2cnn(C)c2c1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O2/c1-3-7-4-5-8-6-11-12(2)9(8)10(7)13(14)15/h3-6H,1H2,2H3
InChIKeyCXICGQQIUGBBAT-UHFFFAOYSA-N
XLogP2.12
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1-methyl-7-nitroindazole?
The IUPAC name of 6-ethenyl-1-methyl-7-nitroindazole (CID 137443537) is 6-ethenyl-1-methyl-7-nitroindazole.
What is the SMILES notation for 6-ethenyl-1-methyl-7-nitroindazole?
The canonical SMILES for 6-ethenyl-1-methyl-7-nitroindazole is C=Cc1ccc2cnn(C)c2c1[N+](=O)[O-].
What is the InChIKey of 6-ethenyl-1-methyl-7-nitroindazole?
The InChIKey is CXICGQQIUGBBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-3-7-4-5-8-6-11-12(2)9(8)10(7)13(14)15/h3-6H,1H2,2H3.
What are the key properties of 6-ethenyl-1-methyl-7-nitroindazole?
6-ethenyl-1-methyl-7-nitroindazole has a molecular weight of 203.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1-methyl-7-nitroindazole is sourced from PubChem (CID 137443537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).