5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine

C18H13F3N2O — CID 173171258

IUPAC5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine
SMILESNc1ncc(-c2ccccc2)cc1OCc1c(F)cc(F)cc1F
InChIInChI=1S/C18H13F3N2O/c19-13-7-15(20)14(16(21)8-13)10-24-17-6-12(9-23-18(17)22)11-4-2-1-3-5-11/h1-9H,10H2,(H2,22,23)
InChIKeyZYYMMIHXFVTSMG-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.33
Rot. Bonds4

About 5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine

5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine (PubChem CID 173171258) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine
PubChem CID173171258
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine
SMILESNc1ncc(-c2ccccc2)cc1OCc1c(F)cc(F)cc1F
InChIInChI=1S/C18H13F3N2O/c19-13-7-15(20)14(16(21)8-13)10-24-17-6-12(9-23-18(17)22)11-4-2-1-3-5-11/h1-9H,10H2,(H2,22,23)
InChIKeyZYYMMIHXFVTSMG-UHFFFAOYSA-N
XLogP4.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

Analyze 5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine?
The IUPAC name of 5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine (CID 173171258) is 5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine?
The canonical SMILES for 5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine is Nc1ncc(-c2ccccc2)cc1OCc1c(F)cc(F)cc1F.
What is the InChIKey of 5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine?
The InChIKey is ZYYMMIHXFVTSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c19-13-7-15(20)14(16(21)8-13)10-24-17-6-12(9-23-18(17)22)11-4-2-1-3-5-11/h1-9H,10H2,(H2,22,23).
What are the key properties of 5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine?
5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine has a molecular weight of 330.31 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(2,4,6-trifluorophenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 173171258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).