4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol

C20H17F3N2O — CID 155552326

IUPAC4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol
SMILESCc1cc(-c2cnc(N)c(-c3cccc(C(F)(F)F)c3)c2)cc(C)c1O
InChIInChI=1S/C20H17F3N2O/c1-11-6-14(7-12(2)18(11)26)15-9-17(19(24)25-10-15)13-4-3-5-16(8-13)20(21,22)23/h3-10,26H,1-2H3,(H2,24,25)
InChIKeyLKFKDWYIYPAZOZ-UHFFFAOYSA-N
MW358.36 g/mol
LogP5.34
Rot. Bonds2

About 4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol

4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol (PubChem CID 155552326) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is 4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol
PubChem CID155552326
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC Name4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol
SMILESCc1cc(-c2cnc(N)c(-c3cccc(C(F)(F)F)c3)c2)cc(C)c1O
InChIInChI=1S/C20H17F3N2O/c1-11-6-14(7-12(2)18(11)26)15-9-17(19(24)25-10-15)13-4-3-5-16(8-13)20(21,22)23/h3-10,26H,1-2H3,(H2,24,25)
InChIKeyLKFKDWYIYPAZOZ-UHFFFAOYSA-N
XLogP5.34
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.36
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol?
The IUPAC name of 4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol (CID 155552326) is 4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol is Cc1cc(-c2cnc(N)c(-c3cccc(C(F)(F)F)c3)c2)cc(C)c1O.
What is the InChIKey of 4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol?
The InChIKey is LKFKDWYIYPAZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O/c1-11-6-14(7-12(2)18(11)26)15-9-17(19(24)25-10-15)13-4-3-5-16(8-13)20(21,22)23/h3-10,26H,1-2H3,(H2,24,25).
What are the key properties of 4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol?
4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol has a molecular weight of 358.36 g/mol, XLogP of 5.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol is sourced from PubChem (CID 155552326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).