2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone

C13H9F3N2O — CID 114017886

IUPAC2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESNc1cc(CC(=O)c2ccc(F)c(F)c2F)ccn1
InChIInChI=1S/C13H9F3N2O/c14-9-2-1-8(12(15)13(9)16)10(19)5-7-3-4-18-11(17)6-7/h1-4,6H,5H2,(H2,17,18)
InChIKeyARBUJQFVEYVHSN-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.51
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone

2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone (PubChem CID 114017886) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
PubChem CID114017886
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESNc1cc(CC(=O)c2ccc(F)c(F)c2F)ccn1
InChIInChI=1S/C13H9F3N2O/c14-9-2-1-8(12(15)13(9)16)10(19)5-7-3-4-18-11(17)6-7/h1-4,6H,5H2,(H2,17,18)
InChIKeyARBUJQFVEYVHSN-UHFFFAOYSA-N
XLogP2.51
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone 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 2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone (CID 114017886) is 2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone is Nc1cc(CC(=O)c2ccc(F)c(F)c2F)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone?
The InChIKey is ARBUJQFVEYVHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-9-2-1-8(12(15)13(9)16)10(19)5-7-3-4-18-11(17)6-7/h1-4,6H,5H2,(H2,17,18).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone?
2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone has a molecular weight of 266.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone is sourced from PubChem (CID 114017886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).