1,3-dimethyl-7-(trifluoromethoxy)indazole

C10H9F3N2O — CID 133055459

IUPAC1,3-dimethyl-7-(trifluoromethoxy)indazole
SMILESCc1nn(C)c2c(OC(F)(F)F)cccc12
InChIInChI=1S/C10H9F3N2O/c1-6-7-4-3-5-8(16-10(11,12)13)9(7)15(2)14-6/h3-5H,1-2H3
InChIKeyGLWKHJNLSZBABC-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.78
Rot. Bonds1

About 1,3-dimethyl-7-(trifluoromethoxy)indazole

1,3-dimethyl-7-(trifluoromethoxy)indazole (PubChem CID 133055459) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 1,3-dimethyl-7-(trifluoromethoxy)indazole.

Molecular Properties

Compound Name1,3-dimethyl-7-(trifluoromethoxy)indazole
PubChem CID133055459
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name1,3-dimethyl-7-(trifluoromethoxy)indazole
SMILESCc1nn(C)c2c(OC(F)(F)F)cccc12
InChIInChI=1S/C10H9F3N2O/c1-6-7-4-3-5-8(16-10(11,12)13)9(7)15(2)14-6/h3-5H,1-2H3
InChIKeyGLWKHJNLSZBABC-UHFFFAOYSA-N
XLogP2.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine
CID 167478547
1,3-dimethylindazole-7-carbonitrile
CID 83816263
3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline
CID 121236039
1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
CID 28664405
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine
CID 167522108
3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline
CID 121236417
2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene
CID 87191314
2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone
CID 86671580
1-(2-ethylsulfonylethyl)-8-methoxy-3-[3-(trifluoromethoxy)phenyl]cinnolin-4-one
CID 66738110
CID 178017616
CID 178017616
1-methyl-2-[2-methyl-6-(trifluoromethoxy)phenyl]sulfanyl-3-(trifluoromethoxy)benzene
CID 175290458

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(trifluoromethoxy)indazole?
The IUPAC name of 1,3-dimethyl-7-(trifluoromethoxy)indazole (CID 133055459) is 1,3-dimethyl-7-(trifluoromethoxy)indazole.
What is the SMILES notation for 1,3-dimethyl-7-(trifluoromethoxy)indazole?
The canonical SMILES for 1,3-dimethyl-7-(trifluoromethoxy)indazole is Cc1nn(C)c2c(OC(F)(F)F)cccc12.
What is the InChIKey of 1,3-dimethyl-7-(trifluoromethoxy)indazole?
The InChIKey is GLWKHJNLSZBABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-6-7-4-3-5-8(16-10(11,12)13)9(7)15(2)14-6/h3-5H,1-2H3.
What are the key properties of 1,3-dimethyl-7-(trifluoromethoxy)indazole?
1,3-dimethyl-7-(trifluoromethoxy)indazole has a molecular weight of 230.19 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(trifluoromethoxy)indazole is sourced from PubChem (CID 133055459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).