6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole

C15H11F3N2 — CID 90645460

IUPAC6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESCc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F3N2/c1-9-6-14-10(8-19-20-14)7-12(9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyNXFIEIXVSJMOQL-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.56
Rot. Bonds1

About 6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole

6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645460) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645460
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESCc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F3N2/c1-9-6-14-10(8-19-20-14)7-12(9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyNXFIEIXVSJMOQL-UHFFFAOYSA-N
XLogP4.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645460) is 6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole is Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is NXFIEIXVSJMOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c1-9-6-14-10(8-19-20-14)7-12(9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20).
What are the key properties of 6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 276.26 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).