7-bromo-5-(trifluoromethoxy)-1H-indazole

C8H4BrF3N2O — CID 155973936

IUPAC7-bromo-5-(trifluoromethoxy)-1H-indazole
SMILESFC(F)(F)Oc1cc(Br)c2[nH]ncc2c1
InChIInChI=1S/C8H4BrF3N2O/c9-6-2-5(15-8(10,11)12)1-4-3-13-14-7(4)6/h1-3H,(H,13,14)
InChIKeyNYIQEXYBOMMHLO-UHFFFAOYSA-N
MW281.03 g/mol
LogP3.22
Rot. Bonds1

About 7-bromo-5-(trifluoromethoxy)-1H-indazole

7-bromo-5-(trifluoromethoxy)-1H-indazole (PubChem CID 155973936) has the molecular formula C8H4BrF3N2O and a molecular weight of 281.03 g/mol. Its IUPAC name is 7-bromo-5-(trifluoromethoxy)-1H-indazole.

Molecular Properties

Compound Name7-bromo-5-(trifluoromethoxy)-1H-indazole
PubChem CID155973936
Molecular FormulaC8H4BrF3N2O
Molecular Weight281.03 g/mol
Exact Mass279.95
IUPAC Name7-bromo-5-(trifluoromethoxy)-1H-indazole
SMILESFC(F)(F)Oc1cc(Br)c2[nH]ncc2c1
InChIInChI=1S/C8H4BrF3N2O/c9-6-2-5(15-8(10,11)12)1-4-3-13-14-7(4)6/h1-3H,(H,13,14)
InChIKeyNYIQEXYBOMMHLO-UHFFFAOYSA-N
XLogP3.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.03
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-4-(trifluoromethoxy)aniline
CID 2736797
7-bromo-1H-indazole-5-carbonitrile
CID 131500688
5-bromo-7-methoxy-1H-indazole
CID 83669485
3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine
CID 130089434
1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene
CID 171006403
5-bromo-7-(trifluoromethoxy)quinoxaline
CID 154728189
methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate
CID 164940209
4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 20551895
5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine
CID 166073907
2-bromo-6-methoxy-4-(trifluoromethoxy)phenol
CID 131277927
2-bromo-6-(trifluoromethoxy)naphthalene
CID 57429270
[2-bromo-4-(trifluoromethoxy)phenyl]azanium
CID 146757846

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(trifluoromethoxy)-1H-indazole?
The IUPAC name of 7-bromo-5-(trifluoromethoxy)-1H-indazole (CID 155973936) is 7-bromo-5-(trifluoromethoxy)-1H-indazole.
What is the SMILES notation for 7-bromo-5-(trifluoromethoxy)-1H-indazole?
The canonical SMILES for 7-bromo-5-(trifluoromethoxy)-1H-indazole is FC(F)(F)Oc1cc(Br)c2[nH]ncc2c1.
What is the InChIKey of 7-bromo-5-(trifluoromethoxy)-1H-indazole?
The InChIKey is NYIQEXYBOMMHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2O/c9-6-2-5(15-8(10,11)12)1-4-3-13-14-7(4)6/h1-3H,(H,13,14).
What are the key properties of 7-bromo-5-(trifluoromethoxy)-1H-indazole?
7-bromo-5-(trifluoromethoxy)-1H-indazole has a molecular weight of 281.03 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(trifluoromethoxy)-1H-indazole is sourced from PubChem (CID 155973936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).