6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane

C12H14BrF3N2 — CID 176566976

IUPAC6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane
SMILESCC.Cc1nn(C)c2cc(Br)cc(C(F)(F)F)c12
InChIInChI=1S/C10H8BrF3N2.C2H6/c1-5-9-7(10(12,13)14)3-6(11)4-8(9)16(2)15-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyVVGGVXDZEZNBLW-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.69
Rot. Bonds

About 6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane

6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane (PubChem CID 176566976) has the molecular formula C12H14BrF3N2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane.

Molecular Properties

Compound Name6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane
PubChem CID176566976
Molecular FormulaC12H14BrF3N2
Molecular Weight323.16 g/mol
Exact Mass322.03
IUPAC Name6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane
SMILESCC.Cc1nn(C)c2cc(Br)cc(C(F)(F)F)c12
InChIInChI=1S/C10H8BrF3N2.C2H6/c1-5-9-7(10(12,13)14)3-6(11)4-8(9)16(2)15-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyVVGGVXDZEZNBLW-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-fluoro-1,3-dimethylindazole;ethane
CID 176567002
6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane
CID 176566236
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]urea
CID 162589917
1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308003
1,3,4,6-tetramethylindazole
CID 123441801
3-bromo-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 65491585
6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497806
5-bromo-2-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 107286391
1,3,4-trimethyl-5-(trifluoromethyl)pyrazole
CID 23392033
4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole
CID 65485777
3-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,2,4-triazole
CID 107333763

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane?
The IUPAC name of 6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane (CID 176566976) is 6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane.
What is the SMILES notation for 6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane?
The canonical SMILES for 6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane is CC.Cc1nn(C)c2cc(Br)cc(C(F)(F)F)c12.
What is the InChIKey of 6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane?
The InChIKey is VVGGVXDZEZNBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2.C2H6/c1-5-9-7(10(12,13)14)3-6(11)4-8(9)16(2)15-5;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane?
6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane has a molecular weight of 323.16 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane is sourced from PubChem (CID 176566976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).