5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline

C13H11F3N2O2 — CID 16776346

IUPAC5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cn2)c(N)c1
InChIInChI=1S/C13H11F3N2O2/c1-19-9-3-4-11(10(17)6-9)20-12-5-2-8(7-18-12)13(14,15)16/h2-7H,17H2,1H3
InChIKeyWMJDVNLZCZGKLV-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.48
Rot. Bonds3

About 5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline

5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline (PubChem CID 16776346) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
PubChem CID16776346
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cn2)c(N)c1
InChIInChI=1S/C13H11F3N2O2/c1-19-9-3-4-11(10(17)6-9)20-12-5-2-8(7-18-12)13(14,15)16/h2-7H,17H2,1H3
InChIKeyWMJDVNLZCZGKLV-UHFFFAOYSA-N
XLogP3.48
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The IUPAC name of 5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline (CID 16776346) is 5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline.
What is the SMILES notation for 5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The canonical SMILES for 5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline is COc1ccc(Oc2ccc(C(F)(F)F)cn2)c(N)c1.
What is the InChIKey of 5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The InChIKey is WMJDVNLZCZGKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-19-9-3-4-11(10(17)6-9)20-12-5-2-8(7-18-12)13(14,15)16/h2-7H,17H2,1H3.
What are the key properties of 5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline has a molecular weight of 284.24 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline is sourced from PubChem (CID 16776346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).