7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole

C15H10BrF3N2 — CID 67186508

IUPAC7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole
SMILESFC(F)(F)c1cccc(Cn2cc3cccc(Br)c3n2)c1
InChIInChI=1S/C15H10BrF3N2/c16-13-6-2-4-11-9-21(20-14(11)13)8-10-3-1-5-12(7-10)15(17,18)19/h1-7,9H,8H2
InChIKeyITAUVGARILKHTB-UHFFFAOYSA-N
MW355.16 g/mol
LogP4.87
Rot. Bonds2

About 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole

7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole (PubChem CID 67186508) has the molecular formula C15H10BrF3N2 and a molecular weight of 355.16 g/mol. Its IUPAC name is 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole.

Molecular Properties

Compound Name7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole
PubChem CID67186508
Molecular FormulaC15H10BrF3N2
Molecular Weight355.16 g/mol
Exact Mass354.00
IUPAC Name7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole
SMILESFC(F)(F)c1cccc(Cn2cc3cccc(Br)c3n2)c1
InChIInChI=1S/C15H10BrF3N2/c16-13-6-2-4-11-9-21(20-14(11)13)8-10-3-1-5-12(7-10)15(17,18)19/h1-7,9H,8H2
InChIKeyITAUVGARILKHTB-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.16
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336
ethyl 3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-7-yl]benzoate;3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-7-yl]benzoic acid
CID 87301894
3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 114692714
2-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 167786376
2-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 175947933
4-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole
CID 67188787
1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 79001292
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 129205660
4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 90149446
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
CID 62730727
4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267436
1-(bromomethyl)-3-(trifluoromethyl)benzene;8-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 87302446

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole?
The IUPAC name of 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole (CID 67186508) is 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole.
What is the SMILES notation for 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole?
The canonical SMILES for 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole is FC(F)(F)c1cccc(Cn2cc3cccc(Br)c3n2)c1.
What is the InChIKey of 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole?
The InChIKey is ITAUVGARILKHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N2/c16-13-6-2-4-11-9-21(20-14(11)13)8-10-3-1-5-12(7-10)15(17,18)19/h1-7,9H,8H2.
What are the key properties of 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole?
7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole has a molecular weight of 355.16 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole is sourced from PubChem (CID 67186508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).