4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride

C12H10ClF3N2O — CID 54593286

IUPAC4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride
SMILESCl.Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H9F3N2O.ClH/c13-12(14,15)10-2-1-3-11(17-10)18-9-6-4-8(16)5-7-9;/h1-7H,16H2;1H
InChIKeyFGQHUCAYORZCND-UHFFFAOYSA-N
MW290.67 g/mol
LogP3.90
Rot. Bonds2

About 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride

4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride (PubChem CID 54593286) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride.

Molecular Properties

Compound Name4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride
PubChem CID54593286
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride
SMILESCl.Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H9F3N2O.ClH/c13-12(14,15)10-2-1-3-11(17-10)18-9-6-4-8(16)5-7-9;/h1-7H,16H2;1H
InChIKeyFGQHUCAYORZCND-UHFFFAOYSA-N
XLogP3.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(2-Fluorophenoxy)pyridin-3-amine
CID 2800656
6-(4-Fluorophenoxy)pyridin-3-amine
CID 421224
US11072585, Example 58
CID 122516817
Pyridine, 2-ethoxy-6-methyl-
CID 4738465
[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
2-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}ethan-1-amine
CID 62347988
N-methyl-4-(2,3,5,6-tetrafluoropyridin-4-yl)oxyaniline
CID 950438
2-Piperidin-3-yloxy-6-(trifluoromethyl)pyridine
CID 62348720
2,5-Dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole
CID 2741190
6-(2,4-Difluorophenoxy)pyridin-3-amine
CID 2800154
4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}aniline
CID 2783085
4-(Pyridin-2-yloxy)aniline
CID 13150574

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride?
The IUPAC name of 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride (CID 54593286) is 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride.
What is the SMILES notation for 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride?
The canonical SMILES for 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride is Cl.Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride?
The InChIKey is FGQHUCAYORZCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O.ClH/c13-12(14,15)10-2-1-3-11(17-10)18-9-6-4-8(16)5-7-9;/h1-7H,16H2;1H.
What are the key properties of 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride?
4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride has a molecular weight of 290.67 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline;hydrochloride is sourced from PubChem (CID 54593286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).