5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole

C8H3BrF3IN2 — CID 171662388

IUPAC5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole
SMILESFC(F)(F)c1cc2n[nH]c(I)c2cc1Br
InChIInChI=1S/C8H3BrF3IN2/c9-5-1-3-6(14-15-7(3)13)2-4(5)8(10,11)12/h1-2H,(H,14,15)
InChIKeyJDTCCOJWCRQYOH-UHFFFAOYSA-N
MW390.93 g/mol
LogP3.95
Rot. Bonds

About 5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole

5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole (PubChem CID 171662388) has the molecular formula C8H3BrF3IN2 and a molecular weight of 390.93 g/mol. Its IUPAC name is 5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole.

Molecular Properties

Compound Name5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole
PubChem CID171662388
Molecular FormulaC8H3BrF3IN2
Molecular Weight390.93 g/mol
Exact Mass389.85
IUPAC Name5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole
SMILESFC(F)(F)c1cc2n[nH]c(I)c2cc1Br
InChIInChI=1S/C8H3BrF3IN2/c9-5-1-3-6(14-15-7(3)13)2-4(5)8(10,11)12/h1-2H,(H,14,15)
InChIKeyJDTCCOJWCRQYOH-UHFFFAOYSA-N
XLogP3.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine
CID 121232096
5-bromo-3-iodo-2H-indazole
CID 23156224
3-iodo-6-methyl-2H-indazol-5-amine
CID 24729252
3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole
CID 175800117
3-bromo-6-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine
CID 119081498
6-bromo-7-(trifluoromethyl)quinoline
CID 91659035
5-bromo-2-(3-phenyl-1H-pyrazol-5-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 136929747
5-bromo-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 136929791
5-bromo-2,4-bis(trifluoromethyl)phenol
CID 119013784
5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine
CID 122603922
3-bromo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine
CID 121232095
6-chloro-3-iodo-5-methyl-2H-indazole
CID 74888467

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole?
The IUPAC name of 5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole (CID 171662388) is 5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole.
What is the SMILES notation for 5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole?
The canonical SMILES for 5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole is FC(F)(F)c1cc2n[nH]c(I)c2cc1Br.
What is the InChIKey of 5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole?
The InChIKey is JDTCCOJWCRQYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF3IN2/c9-5-1-3-6(14-15-7(3)13)2-4(5)8(10,11)12/h1-2H,(H,14,15).
What are the key properties of 5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole?
5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole has a molecular weight of 390.93 g/mol, XLogP of 3.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-iodo-6-(trifluoromethyl)-2H-indazole is sourced from PubChem (CID 171662388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).