[2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine

C13H10ClF3N2S — CID 79876875

IUPAC[2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1Sc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClF3N2S/c14-9-2-4-10(5-3-9)20-12-8(7-18)1-6-11(19-12)13(15,16)17/h1-6H,7,18H2
InChIKeyPZLGOZVGHVLCST-UHFFFAOYSA-N
MW318.75 g/mol
LogP4.36
Rot. Bonds3

About [2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 79876875) has the molecular formula C13H10ClF3N2S and a molecular weight of 318.75 g/mol. Its IUPAC name is [2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID79876875
Molecular FormulaC13H10ClF3N2S
Molecular Weight318.75 g/mol
Exact Mass318.02
IUPAC Name[2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1Sc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClF3N2S/c14-9-2-4-10(5-3-9)20-12-8(7-18)1-6-11(19-12)13(15,16)17/h1-6H,7,18H2
InChIKeyPZLGOZVGHVLCST-UHFFFAOYSA-N
XLogP4.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine 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-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 79876875) is [2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1ccc(C(F)(F)F)nc1Sc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is PZLGOZVGHVLCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2S/c14-9-2-4-10(5-3-9)20-12-8(7-18)1-6-11(19-12)13(15,16)17/h1-6H,7,18H2.
What are the key properties of [2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 318.75 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 79876875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).