3-bromo-6-methyl-7-nitro-2H-indazole

C8H6BrN3O2 — CID 74888863

IUPAC3-bromo-6-methyl-7-nitro-2H-indazole
SMILESCc1ccc2c(Br)[nH]nc2c1[N+](=O)[O-]
InChIInChI=1S/C8H6BrN3O2/c1-4-2-3-5-6(7(4)12(13)14)10-11-8(5)9/h2-3H,1H3,(H,10,11)
InChIKeyDNLDBBVTNYEDOL-UHFFFAOYSA-N
MW256.06 g/mol
LogP2.54
Rot. Bonds1

About 3-bromo-6-methyl-7-nitro-2H-indazole

3-bromo-6-methyl-7-nitro-2H-indazole (PubChem CID 74888863) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 3-bromo-6-methyl-7-nitro-2H-indazole.

Molecular Properties

Compound Name3-bromo-6-methyl-7-nitro-2H-indazole
PubChem CID74888863
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name3-bromo-6-methyl-7-nitro-2H-indazole
SMILESCc1ccc2c(Br)[nH]nc2c1[N+](=O)[O-]
InChIInChI=1S/C8H6BrN3O2/c1-4-2-3-5-6(7(4)12(13)14)10-11-8(5)9/h2-3H,1H3,(H,10,11)
InChIKeyDNLDBBVTNYEDOL-UHFFFAOYSA-N
XLogP2.54
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 52.54
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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Related Compounds

1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
6-methyl-5-nitroquinoxaline
CID 55271660
1-(2-bromo-4-methyl-3-nitrophenyl)ethanone
CID 131168853
4-methyl-3-nitrobenzene-1,2-diamine
CID 3639343
6-methyl-5-nitro-2H-isoquinolin-1-one
CID 52987928
5-methyl-4-nitro-1,3-benzoxazole
CID 170638026
6-bromo-3-methyl-2-nitrobenzoyl chloride
CID 130787895
ethane;6-methyl-5-nitro-2H-isoquinolin-1-one
CID 91342275
3-bromo-6-fluoro-5-nitro-2H-indazole-7-carboxylic acid
CID 170750192
3-bromo-5,6-dinitro-2H-indazole
CID 138559785
3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole
CID 159473762
6-methyl-5-nitroisochromen-1-one
CID 59515784

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-7-nitro-2H-indazole?
The IUPAC name of 3-bromo-6-methyl-7-nitro-2H-indazole (CID 74888863) is 3-bromo-6-methyl-7-nitro-2H-indazole.
What is the SMILES notation for 3-bromo-6-methyl-7-nitro-2H-indazole?
The canonical SMILES for 3-bromo-6-methyl-7-nitro-2H-indazole is Cc1ccc2c(Br)[nH]nc2c1[N+](=O)[O-].
What is the InChIKey of 3-bromo-6-methyl-7-nitro-2H-indazole?
The InChIKey is DNLDBBVTNYEDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c1-4-2-3-5-6(7(4)12(13)14)10-11-8(5)9/h2-3H,1H3,(H,10,11).
What are the key properties of 3-bromo-6-methyl-7-nitro-2H-indazole?
3-bromo-6-methyl-7-nitro-2H-indazole has a molecular weight of 256.06 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-7-nitro-2H-indazole is sourced from PubChem (CID 74888863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).