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

C11H8ClFN2O — CID 79728774

IUPAC4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
SMILESNc1ccc(Oc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C11H8ClFN2O/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h1-6H,14H2
InChIKeyVXISJTJQMNRLJB-UHFFFAOYSA-N
MW238.65 g/mol
LogP3.25
Rot. Bonds2

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

4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline (PubChem CID 79728774) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
PubChem CID79728774
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
SMILESNc1ccc(Oc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C11H8ClFN2O/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h1-6H,14H2
InChIKeyVXISJTJQMNRLJB-UHFFFAOYSA-N
XLogP3.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 53.25
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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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline?
The IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline (CID 79728774) is 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline?
The canonical SMILES for 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline is Nc1ccc(Oc2ncc(Cl)cc2F)cc1.
What is the InChIKey of 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline?
The InChIKey is VXISJTJQMNRLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h1-6H,14H2.
What are the key properties of 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline?
4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline has a molecular weight of 238.65 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 79728774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).