6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole

C14H7BrF3N3O2 — CID 134230757

IUPAC6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole
SMILESO=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)c3ccc(Br)cc32)cc1
InChIInChI=1S/C14H7BrF3N3O2/c15-8-1-6-11-12(7-8)20(19-13(11)14(16,17)18)9-2-4-10(5-3-9)21(22)23/h1-7H
InChIKeySJXZRFJZAZLYDL-UHFFFAOYSA-N
MW386.13 g/mol
LogP4.72
Rot. Bonds2

About 6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole

6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole (PubChem CID 134230757) has the molecular formula C14H7BrF3N3O2 and a molecular weight of 386.13 g/mol. Its IUPAC name is 6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole.

Molecular Properties

Compound Name6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole
PubChem CID134230757
Molecular FormulaC14H7BrF3N3O2
Molecular Weight386.13 g/mol
Exact Mass384.97
IUPAC Name6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole
SMILESO=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)c3ccc(Br)cc32)cc1
InChIInChI=1S/C14H7BrF3N3O2/c15-8-1-6-11-12(7-8)20(19-13(11)14(16,17)18)9-2-4-10(5-3-9)21(22)23/h1-7H
InChIKeySJXZRFJZAZLYDL-UHFFFAOYSA-N
XLogP4.72
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.13
LogP ≤ 54.72
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

5-chloro-4-methyl-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
CID 66020715
3,6-dinitro-1-phenylindazole
CID 13221052
1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 10780621
5-(4-chlorophenyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
CID 10451628
6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine
CID 174298070
6-bromo-3-methyl-1-phenylindazole
CID 67449853
3,5-dinitro-1-phenylindazole
CID 13221051
4-[5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10201726
3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
CID 10215228
3-[2-(4-bromophenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one
CID 71966620
1-(4-bromophenyl)-3-(4-nitrophenyl)pyrazolo[4,5-c]cinnoline
CID 135008918
3-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-oxopropanoic acid
CID 170887046

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole?
The IUPAC name of 6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole (CID 134230757) is 6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole.
What is the SMILES notation for 6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole?
The canonical SMILES for 6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole is O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)c3ccc(Br)cc32)cc1.
What is the InChIKey of 6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole?
The InChIKey is SJXZRFJZAZLYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF3N3O2/c15-8-1-6-11-12(7-8)20(19-13(11)14(16,17)18)9-2-4-10(5-3-9)21(22)23/h1-7H.
What are the key properties of 6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole?
6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole has a molecular weight of 386.13 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)indazole is sourced from PubChem (CID 134230757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).