6-methyl-5-nitro-1H-indazole

C8H7N3O2 — CID 1480034

IUPAC6-methyl-5-nitro-1H-indazole
SMILESCc1cc2[nH]ncc2cc1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O2/c1-5-2-7-6(4-9-10-7)3-8(5)11(12)13/h2-4H,1H3,(H,9,10)
InChIKeyJNIDNZRLKGLAOP-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.78
Rot. Bonds1

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

6-methyl-5-nitro-1H-indazole (PubChem CID 1480034) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-methyl-5-nitro-1H-indazole.

Molecular Properties

Compound Name6-methyl-5-nitro-1H-indazole
PubChem CID1480034
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-methyl-5-nitro-1H-indazole
SMILESCc1cc2[nH]ncc2cc1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O2/c1-5-2-7-6(4-9-10-7)3-8(5)11(12)13/h2-4H,1H3,(H,9,10)
InChIKeyJNIDNZRLKGLAOP-UHFFFAOYSA-N
XLogP1.78
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-5-nitro-1H-indazole?
The IUPAC name of 6-methyl-5-nitro-1H-indazole (CID 1480034) is 6-methyl-5-nitro-1H-indazole.
What is the SMILES notation for 6-methyl-5-nitro-1H-indazole?
The canonical SMILES for 6-methyl-5-nitro-1H-indazole is Cc1cc2[nH]ncc2cc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-1H-indazole?
The InChIKey is JNIDNZRLKGLAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5-2-7-6(4-9-10-7)3-8(5)11(12)13/h2-4H,1H3,(H,9,10).
What are the key properties of 6-methyl-5-nitro-1H-indazole?
6-methyl-5-nitro-1H-indazole has a molecular weight of 177.16 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-1H-indazole is sourced from PubChem (CID 1480034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).