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

C15H11F3N2O — CID 90645465

IUPAC6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESCOc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F3N2O/c1-21-14-7-13-9(8-19-20-13)6-11(14)10-4-2-3-5-12(10)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyPPHJNQDDPYIFET-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.26
Rot. Bonds2

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

6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645465) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645465
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESCOc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F3N2O/c1-21-14-7-13-9(8-19-20-13)6-11(14)10-4-2-3-5-12(10)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyPPHJNQDDPYIFET-UHFFFAOYSA-N
XLogP4.26
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645465) is 6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole is COc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is PPHJNQDDPYIFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-21-14-7-13-9(8-19-20-13)6-11(14)10-4-2-3-5-12(10)15(16,17)18/h2-8H,1H3,(H,19,20).
What are the key properties of 6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 292.26 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).