4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine

C17H14FN3O — CID 169150219

IUPAC4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine
SMILESNc1ccc(Oc2ccnc(N)c2-c2ccccc2)c(F)c1
InChIInChI=1S/C17H14FN3O/c18-13-10-12(19)6-7-14(13)22-15-8-9-21-17(20)16(15)11-4-2-1-3-5-11/h1-10H,19H2,(H2,20,21)
InChIKeyXLJFOWYCRQOOHD-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.84
Rot. Bonds3

About 4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine

4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine (PubChem CID 169150219) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine
PubChem CID169150219
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine
SMILESNc1ccc(Oc2ccnc(N)c2-c2ccccc2)c(F)c1
InChIInChI=1S/C17H14FN3O/c18-13-10-12(19)6-7-14(13)22-15-8-9-21-17(20)16(15)11-4-2-1-3-5-11/h1-10H,19H2,(H2,20,21)
InChIKeyXLJFOWYCRQOOHD-UHFFFAOYSA-N
XLogP3.84
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine?
The IUPAC name of 4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine (CID 169150219) is 4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine.
What is the SMILES notation for 4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine?
The canonical SMILES for 4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine is Nc1ccc(Oc2ccnc(N)c2-c2ccccc2)c(F)c1.
What is the InChIKey of 4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine?
The InChIKey is XLJFOWYCRQOOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-13-10-12(19)6-7-14(13)22-15-8-9-21-17(20)16(15)11-4-2-1-3-5-11/h1-10H,19H2,(H2,20,21).
What are the key properties of 4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine?
4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine has a molecular weight of 295.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine is sourced from PubChem (CID 169150219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).