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

C12H8ClF3N2O — CID 62304327

IUPAC4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESNc1ccc(Cl)cc1Oc1ncccc1C(F)(F)F
InChIInChI=1S/C12H8ClF3N2O/c13-7-3-4-9(17)10(6-7)19-11-8(12(14,15)16)2-1-5-18-11/h1-6H,17H2
InChIKeyDSYLNTJRYSNSKJ-UHFFFAOYSA-N
MW288.66 g/mol
LogP4.13
Rot. Bonds2

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

4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline (PubChem CID 62304327) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline
PubChem CID62304327
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESNc1ccc(Cl)cc1Oc1ncccc1C(F)(F)F
InChIInChI=1S/C12H8ClF3N2O/c13-7-3-4-9(17)10(6-7)19-11-8(12(14,15)16)2-1-5-18-11/h1-6H,17H2
InChIKeyDSYLNTJRYSNSKJ-UHFFFAOYSA-N
XLogP4.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 61396049
3-amino-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 61388483
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
CID 75176185
4-amino-5-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327206
3-(2-amino-5-chlorophenoxy)-1-tert-butylpyrazin-2-one
CID 62927261
2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine
CID 104707642
4-chloro-2-[(5-chloro-2-pyridinyl)oxy]aniline
CID 62306379
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
CID 71756841
4-chloro-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline
CID 114449804
[3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 103568205

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The IUPAC name of 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline (CID 62304327) is 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline.
What is the SMILES notation for 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The canonical SMILES for 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline is Nc1ccc(Cl)cc1Oc1ncccc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The InChIKey is DSYLNTJRYSNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c13-7-3-4-9(17)10(6-7)19-11-8(12(14,15)16)2-1-5-18-11/h1-6H,17H2.
What are the key properties of 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline has a molecular weight of 288.66 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline is sourced from PubChem (CID 62304327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).