3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline

C13H11F3N2O2 — CID 62109783

IUPAC3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESCOc1cc(N)ccc1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H11F3N2O2/c1-19-10-7-8(17)5-6-9(10)20-12-4-2-3-11(18-12)13(14,15)16/h2-7H,17H2,1H3
InChIKeyIJYHKQNYPMSZQH-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.48
Rot. Bonds3

About 3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline

3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline (PubChem CID 62109783) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
PubChem CID62109783
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESCOc1cc(N)ccc1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H11F3N2O2/c1-19-10-7-8(17)5-6-9(10)20-12-4-2-3-11(18-12)13(14,15)16/h2-7H,17H2,1H3
InChIKeyIJYHKQNYPMSZQH-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 3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The IUPAC name of 3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline (CID 62109783) is 3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline.
What is the SMILES notation for 3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The canonical SMILES for 3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline is COc1cc(N)ccc1Oc1cccc(C(F)(F)F)n1.
What is the InChIKey of 3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The InChIKey is IJYHKQNYPMSZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-19-10-7-8(17)5-6-9(10)20-12-4-2-3-11(18-12)13(14,15)16/h2-7H,17H2,1H3.
What are the key properties of 3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
3-methoxy-4-[[6-(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 3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline is sourced from PubChem (CID 62109783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).