1-methyl-6-nitro-2,3-dihydroindazole

C8H9N3O2 — CID 67278398

IUPAC1-methyl-6-nitro-2,3-dihydroindazole
SMILESCN1NCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C8H9N3O2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10/h2-4,9H,5H2,1H3
InChIKeyIQEQQLAGJQSBAF-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.05
Rot. Bonds1

About 1-methyl-6-nitro-2,3-dihydroindazole

1-methyl-6-nitro-2,3-dihydroindazole (PubChem CID 67278398) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-methyl-6-nitro-2,3-dihydroindazole.

Molecular Properties

Compound Name1-methyl-6-nitro-2,3-dihydroindazole
PubChem CID67278398
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name1-methyl-6-nitro-2,3-dihydroindazole
SMILESCN1NCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C8H9N3O2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10/h2-4,9H,5H2,1H3
InChIKeyIQEQQLAGJQSBAF-UHFFFAOYSA-N
XLogP1.05
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.05
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

ethyl 3-(6-nitro-2,3-dihydroindazol-1-yl)propanoate
CID 66758994
N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine
CID 18914093
1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline
CID 69040269
4-nitro-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 600712
(4S)-1,4-dimethyl-7-nitro-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 7070787
4-methyl-8-nitro-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 67263833
3,3-dimethyl-7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-ium
CID 69140709
1-[(4-chlorophenyl)methyl]-5-nitro-2,3-dihydroindazole
CID 141136948
1-ethylsulfonyl-6-nitro-2,3-dihydroindole
CID 110287378
3-methyl-6-nitro-1,4-dihydroquinazolin-2-one
CID 57415942
3-chloro-1-methyl-6-nitro-2,3-dihydroindole
CID 21191342
2-(deuteriomethyl)-5-nitro-1,3-dihydroisoindole
CID 121375479

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-nitro-2,3-dihydroindazole?
The IUPAC name of 1-methyl-6-nitro-2,3-dihydroindazole (CID 67278398) is 1-methyl-6-nitro-2,3-dihydroindazole.
What is the SMILES notation for 1-methyl-6-nitro-2,3-dihydroindazole?
The canonical SMILES for 1-methyl-6-nitro-2,3-dihydroindazole is CN1NCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-methyl-6-nitro-2,3-dihydroindazole?
The InChIKey is IQEQQLAGJQSBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10/h2-4,9H,5H2,1H3.
What are the key properties of 1-methyl-6-nitro-2,3-dihydroindazole?
1-methyl-6-nitro-2,3-dihydroindazole has a molecular weight of 179.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-nitro-2,3-dihydroindazole is sourced from PubChem (CID 67278398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).