1,6-dimethyl-7-nitroindazole

C9H9N3O2 — CID 170964555

IUPAC1,6-dimethyl-7-nitroindazole
SMILESCc1ccc2cnn(C)c2c1[N+](=O)[O-]
InChIInChI=1S/C9H9N3O2/c1-6-3-4-7-5-10-11(2)9(7)8(6)12(13)14/h3-5H,1-2H3
InChIKeyPLIIIMRYIZSALP-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.79
Rot. Bonds1

About 1,6-dimethyl-7-nitroindazole

1,6-dimethyl-7-nitroindazole (PubChem CID 170964555) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1,6-dimethyl-7-nitroindazole.

Molecular Properties

Compound Name1,6-dimethyl-7-nitroindazole
PubChem CID170964555
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1,6-dimethyl-7-nitroindazole
SMILESCc1ccc2cnn(C)c2c1[N+](=O)[O-]
InChIInChI=1S/C9H9N3O2/c1-6-3-4-7-5-10-11(2)9(7)8(6)12(13)14/h3-5H,1-2H3
InChIKeyPLIIIMRYIZSALP-UHFFFAOYSA-N
XLogP1.79
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.79
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 1,6-dimethyl-7-nitroindazole?
The IUPAC name of 1,6-dimethyl-7-nitroindazole (CID 170964555) is 1,6-dimethyl-7-nitroindazole.
What is the SMILES notation for 1,6-dimethyl-7-nitroindazole?
The canonical SMILES for 1,6-dimethyl-7-nitroindazole is Cc1ccc2cnn(C)c2c1[N+](=O)[O-].
What is the InChIKey of 1,6-dimethyl-7-nitroindazole?
The InChIKey is PLIIIMRYIZSALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6-3-4-7-5-10-11(2)9(7)8(6)12(13)14/h3-5H,1-2H3.
What are the key properties of 1,6-dimethyl-7-nitroindazole?
1,6-dimethyl-7-nitroindazole has a molecular weight of 191.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-7-nitroindazole is sourced from PubChem (CID 170964555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).