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

C12H8ClF3N2O — CID 2773892

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESNc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H8ClF3N2O/c13-8-5-7(12(14,15)16)6-18-11(8)19-10-4-2-1-3-9(10)17/h1-6H,17H2
InChIKeyHMDILVCALCFEHG-UHFFFAOYSA-N
MW288.66 g/mol
LogP4.13
Rot. Bonds2

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

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline (PubChem CID 2773892) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
PubChem CID2773892
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESNc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H8ClF3N2O/c13-8-5-7(12(14,15)16)6-18-11(8)19-10-4-2-1-3-9(10)17/h1-6H,17H2
InChIKeyHMDILVCALCFEHG-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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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline (CID 2773892) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline is Nc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The InChIKey is HMDILVCALCFEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c13-8-5-7(12(14,15)16)6-18-11(8)19-10-4-2-1-3-9(10)17/h1-6H,17H2.
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
2-[[3-chloro-5-(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 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]aniline is sourced from PubChem (CID 2773892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).