3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine

C13H10Cl3FN2 — CID 102750223

IUPAC3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine
SMILESFc1ccccc1CCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3FN2/c14-9-7-10(15)13(19-12(9)16)18-6-5-8-3-1-2-4-11(8)17/h1-4,7H,5-6H2,(H,18,19)
InChIKeyDOYGRMHSIKFHTF-UHFFFAOYSA-N
MW319.59 g/mol
LogP4.84
Rot. Bonds4

About 3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine

3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 102750223) has the molecular formula C13H10Cl3FN2 and a molecular weight of 319.59 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID102750223
Molecular FormulaC13H10Cl3FN2
Molecular Weight319.59 g/mol
Exact Mass317.99
IUPAC Name3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine
SMILESFc1ccccc1CCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3FN2/c14-9-7-10(15)13(19-12(9)16)18-6-5-8-3-1-2-4-11(8)17/h1-4,7H,5-6H2,(H,18,19)
InChIKeyDOYGRMHSIKFHTF-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]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 3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine (CID 102750223) is 3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine is Fc1ccccc1CCNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is DOYGRMHSIKFHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3FN2/c14-9-7-10(15)13(19-12(9)16)18-6-5-8-3-1-2-4-11(8)17/h1-4,7H,5-6H2,(H,18,19).
What are the key properties of 3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine?
3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 319.59 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 102750223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).