3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline

C17H13FN2O — CID 89231827

IUPAC3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline
SMILESNc1ccc(Oc2ccncc2-c2ccccc2)c(F)c1
InChIInChI=1S/C17H13FN2O/c18-15-10-13(19)6-7-17(15)21-16-8-9-20-11-14(16)12-4-2-1-3-5-12/h1-11H,19H2
InChIKeyAKSWCRYZJCOSSF-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.26
Rot. Bonds3

About 3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline

3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline (PubChem CID 89231827) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline
PubChem CID89231827
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline
SMILESNc1ccc(Oc2ccncc2-c2ccccc2)c(F)c1
InChIInChI=1S/C17H13FN2O/c18-15-10-13(19)6-7-17(15)21-16-8-9-20-11-14(16)12-4-2-1-3-5-12/h1-11H,19H2
InChIKeyAKSWCRYZJCOSSF-UHFFFAOYSA-N
XLogP4.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.26
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 3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline?
The IUPAC name of 3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline (CID 89231827) is 3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline.
What is the SMILES notation for 3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline?
The canonical SMILES for 3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline is Nc1ccc(Oc2ccncc2-c2ccccc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline?
The InChIKey is AKSWCRYZJCOSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-15-10-13(19)6-7-17(15)21-16-8-9-20-11-14(16)12-4-2-1-3-5-12/h1-11H,19H2.
What are the key properties of 3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline?
3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline has a molecular weight of 280.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline is sourced from PubChem (CID 89231827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).