4-bromo-1-methyl-6-nitroindazole

C8H6BrN3O2 — CID 130925047

IUPAC4-bromo-1-methyl-6-nitroindazole
SMILESCn1ncc2c(Br)cc([N+](=O)[O-])cc21
InChIInChI=1S/C8H6BrN3O2/c1-11-8-3-5(12(13)14)2-7(9)6(8)4-10-11/h2-4H,1H3
InChIKeyFVRBGJFSCBSGRZ-UHFFFAOYSA-N
MW256.06 g/mol
LogP2.24
Rot. Bonds1

About 4-bromo-1-methyl-6-nitroindazole

4-bromo-1-methyl-6-nitroindazole (PubChem CID 130925047) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 4-bromo-1-methyl-6-nitroindazole.

Molecular Properties

Compound Name4-bromo-1-methyl-6-nitroindazole
PubChem CID130925047
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name4-bromo-1-methyl-6-nitroindazole
SMILESCn1ncc2c(Br)cc([N+](=O)[O-])cc21
InChIInChI=1S/C8H6BrN3O2/c1-11-8-3-5(12(13)14)2-7(9)6(8)4-10-11/h2-4H,1H3
InChIKeyFVRBGJFSCBSGRZ-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'}

Analyze 4-bromo-1-methyl-6-nitroindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4,6-dinitroindazole
CID 71946278
(1-methyl-4-nitroindazol-6-yl)methanol
CID 155103114
N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 19475556
2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol
CID 156539622
4-bromo-1-methylindazole-6-carboxamide;methyl 4-bromo-1-methylindazole-6-carboxylate
CID 159541416
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitroaniline
CID 79579068
5-(2,6-dibromo-4-nitrophenoxy)-3-propan-2-yl-1H-pyridin-2-one
CID 172799506
2,6-dibromo-N-methyl-4-nitroaniline
CID 67155784
6-bromo-1-methylindazole-4-carbonitrile
CID 66692316
5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 62098836
1-(4-methylphenyl)-4,6-dinitroindazole
CID 3981439
5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine
CID 104536753

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-6-nitroindazole?
The IUPAC name of 4-bromo-1-methyl-6-nitroindazole (CID 130925047) is 4-bromo-1-methyl-6-nitroindazole.
What is the SMILES notation for 4-bromo-1-methyl-6-nitroindazole?
The canonical SMILES for 4-bromo-1-methyl-6-nitroindazole is Cn1ncc2c(Br)cc([N+](=O)[O-])cc21.
What is the InChIKey of 4-bromo-1-methyl-6-nitroindazole?
The InChIKey is FVRBGJFSCBSGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c1-11-8-3-5(12(13)14)2-7(9)6(8)4-10-11/h2-4H,1H3.
What are the key properties of 4-bromo-1-methyl-6-nitroindazole?
4-bromo-1-methyl-6-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 4-bromo-1-methyl-6-nitroindazole is sourced from PubChem (CID 130925047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).