3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline

C12H9F3N2O — CID 13490922

IUPAC3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESNc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)8-4-5-11(17-7-8)18-10-3-1-2-9(16)6-10/h1-7H,16H2
InChIKeySCJPMJRMUOIELF-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.47
Rot. Bonds2

About 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline

3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline (PubChem CID 13490922) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
PubChem CID13490922
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESNc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)8-4-5-11(17-7-8)18-10-3-1-2-9(16)6-10/h1-7H,16H2
InChIKeySCJPMJRMUOIELF-UHFFFAOYSA-N
XLogP3.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 103589164
3-[(5-chloro-2-pyridinyl)oxy]aniline
CID 43364009
[6-(3-aminophenoxy)-3-pyridinyl]methanol
CID 89089280
2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine
CID 894657
N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide
CID 100689832
N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 166924916
3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline
CID 54773336
6-(3-fluorophenoxy)pyridin-3-amine
CID 16789868
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
CID 99771190
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol
CID 86623917
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline (CID 13490922) is 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The canonical SMILES for 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline is Nc1cccc(Oc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The InChIKey is SCJPMJRMUOIELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)8-4-5-11(17-7-8)18-10-3-1-2-9(16)6-10/h1-7H,16H2.
What are the key properties of 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline has a molecular weight of 254.21 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline is sourced from PubChem (CID 13490922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).