3-bromo-2-methyl-7-nitroindazole

C8H6BrN3O2 — CID 12558578

IUPAC3-bromo-2-methyl-7-nitroindazole
SMILESCn1nc2c([N+](=O)[O-])cccc2c1Br
InChIInChI=1S/C8H6BrN3O2/c1-11-8(9)5-3-2-4-6(12(13)14)7(5)10-11/h2-4H,1H3
InChIKeyMWICPISJFIIRJA-UHFFFAOYSA-N
MW256.06 g/mol
LogP2.24
Rot. Bonds1

About 3-bromo-2-methyl-7-nitroindazole

3-bromo-2-methyl-7-nitroindazole (PubChem CID 12558578) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 3-bromo-2-methyl-7-nitroindazole.

Molecular Properties

Compound Name3-bromo-2-methyl-7-nitroindazole
PubChem CID12558578
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name3-bromo-2-methyl-7-nitroindazole
SMILESCn1nc2c([N+](=O)[O-])cccc2c1Br
InChIInChI=1S/C8H6BrN3O2/c1-11-8(9)5-3-2-4-6(12(13)14)7(5)10-11/h2-4H,1H3
InChIKeyMWICPISJFIIRJA-UHFFFAOYSA-N
XLogP2.24
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 52.24
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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Related Compounds

3-bromo-2-methylindazole-7-carbaldehyde
CID 84727881
1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine
CID 84729187
3-methyl-7-nitro-N-phenylindazol-2-amine
CID 165349809
ethane;3-methyl-7-nitro-2H-indazole
CID 143766965
2,4-dimethyl-8-nitroquinoline
CID 608736
1,5,9-trinitrotriphenylene
CID 86227277
8-bromo-4-methyl-3-nitroquinoline
CID 131886009
8-nitroquinazolin-4-amine
CID 119088065
3,4-dichloro-8-nitroquinoline
CID 19592722
ethyl 2-(3-bromo-8-nitroquinolin-4-yl)acetate
CID 19592526
5-bromo-1-methyl-3-nitroquinolin-2-one
CID 162754059
N,1-dimethyl-4-nitroindazol-3-amine
CID 12649187

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-7-nitroindazole?
The IUPAC name of 3-bromo-2-methyl-7-nitroindazole (CID 12558578) is 3-bromo-2-methyl-7-nitroindazole.
What is the SMILES notation for 3-bromo-2-methyl-7-nitroindazole?
The canonical SMILES for 3-bromo-2-methyl-7-nitroindazole is Cn1nc2c([N+](=O)[O-])cccc2c1Br.
What is the InChIKey of 3-bromo-2-methyl-7-nitroindazole?
The InChIKey is MWICPISJFIIRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c1-11-8(9)5-3-2-4-6(12(13)14)7(5)10-11/h2-4H,1H3.
What are the key properties of 3-bromo-2-methyl-7-nitroindazole?
3-bromo-2-methyl-7-nitroindazole has a molecular weight of 256.06 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-7-nitroindazole is sourced from PubChem (CID 12558578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).