(6R)-6-methyl-6-nitro-1,5-dihydroindazole

C8H9N3O2 — CID 173381827

IUPAC(6R)-6-methyl-6-nitro-1,5-dihydroindazole
SMILESC[C@]1([N+](=O)[O-])C=c2[nH]ncc2=CC1
InChIInChI=1S/C8H9N3O2/c1-8(11(12)13)3-2-6-5-9-10-7(6)4-8/h2,4-5,10H,3H2,1H3/t8-/m1/s1
InChIKeyYNCGKUICZJYKFJ-MRVPVSSYSA-N
MW179.18 g/mol
LogP-0.59
Rot. Bonds1

About (6R)-6-methyl-6-nitro-1,5-dihydroindazole

(6R)-6-methyl-6-nitro-1,5-dihydroindazole (PubChem CID 173381827) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is (6R)-6-methyl-6-nitro-1,5-dihydroindazole.

Molecular Properties

Compound Name(6R)-6-methyl-6-nitro-1,5-dihydroindazole
PubChem CID173381827
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name(6R)-6-methyl-6-nitro-1,5-dihydroindazole
SMILESC[C@]1([N+](=O)[O-])C=c2[nH]ncc2=CC1
InChIInChI=1S/C8H9N3O2/c1-8(11(12)13)3-2-6-5-9-10-7(6)4-8/h2,4-5,10H,3H2,1H3/t8-/m1/s1
InChIKeyYNCGKUICZJYKFJ-MRVPVSSYSA-N
XLogP-0.59
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.59
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 (6R)-6-methyl-6-nitro-1,5-dihydroindazole?
The IUPAC name of (6R)-6-methyl-6-nitro-1,5-dihydroindazole (CID 173381827) is (6R)-6-methyl-6-nitro-1,5-dihydroindazole.
What is the SMILES notation for (6R)-6-methyl-6-nitro-1,5-dihydroindazole?
The canonical SMILES for (6R)-6-methyl-6-nitro-1,5-dihydroindazole is C[C@]1([N+](=O)[O-])C=c2[nH]ncc2=CC1.
What is the InChIKey of (6R)-6-methyl-6-nitro-1,5-dihydroindazole?
The InChIKey is YNCGKUICZJYKFJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-8(11(12)13)3-2-6-5-9-10-7(6)4-8/h2,4-5,10H,3H2,1H3/t8-/m1/s1.
What are the key properties of (6R)-6-methyl-6-nitro-1,5-dihydroindazole?
(6R)-6-methyl-6-nitro-1,5-dihydroindazole has a molecular weight of 179.18 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-6-nitro-1,5-dihydroindazole is sourced from PubChem (CID 173381827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).