4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline

C11H5ClF4N2O — CID 18402997

IUPAC4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline
SMILESNc1cc(Oc2nc(F)c(F)cc2F)c(Cl)cc1F
InChIInChI=1S/C11H5ClF4N2O/c12-4-1-5(13)8(17)3-9(4)19-11-7(15)2-6(14)10(16)18-11/h1-3H,17H2
InChIKeyPXUKFCCARCJNJX-UHFFFAOYSA-N
MW292.62 g/mol
LogP3.67
Rot. Bonds2

About 4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline

4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline (PubChem CID 18402997) has the molecular formula C11H5ClF4N2O and a molecular weight of 292.62 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline
PubChem CID18402997
Molecular FormulaC11H5ClF4N2O
Molecular Weight292.62 g/mol
Exact Mass292.00
IUPAC Name4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline
SMILESNc1cc(Oc2nc(F)c(F)cc2F)c(Cl)cc1F
InChIInChI=1S/C11H5ClF4N2O/c12-4-1-5(13)8(17)3-9(4)19-11-7(15)2-6(14)10(16)18-11/h1-3H,17H2
InChIKeyPXUKFCCARCJNJX-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.62
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline?
The IUPAC name of 4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline (CID 18402997) is 4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline?
The canonical SMILES for 4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline is Nc1cc(Oc2nc(F)c(F)cc2F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline?
The InChIKey is PXUKFCCARCJNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF4N2O/c12-4-1-5(13)8(17)3-9(4)19-11-7(15)2-6(14)10(16)18-11/h1-3H,17H2.
What are the key properties of 4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline?
4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline has a molecular weight of 292.62 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-[(3,5,6-trifluoro-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 18402997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).