2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine

C11H7Cl3N2S — CID 901289

IUPAC2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine
SMILESNc1cccnc1Sc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl3N2S/c12-6-4-8(14)10(5-7(6)13)17-11-9(15)2-1-3-16-11/h1-5H,15H2
InChIKeyYAOQBIXSQAUGGK-UHFFFAOYSA-N
MW305.62 g/mol
LogP4.78
Rot. Bonds2

About 2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine

2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine (PubChem CID 901289) has the molecular formula C11H7Cl3N2S and a molecular weight of 305.62 g/mol. Its IUPAC name is 2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine
PubChem CID901289
Molecular FormulaC11H7Cl3N2S
Molecular Weight305.62 g/mol
Exact Mass303.94
IUPAC Name2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine
SMILESNc1cccnc1Sc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl3N2S/c12-6-4-8(14)10(5-7(6)13)17-11-9(15)2-1-3-16-11/h1-5H,15H2
InChIKeyYAOQBIXSQAUGGK-UHFFFAOYSA-N
XLogP4.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.62
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine?
The IUPAC name of 2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine (CID 901289) is 2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine is Nc1cccnc1Sc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine?
The InChIKey is YAOQBIXSQAUGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2S/c12-6-4-8(14)10(5-7(6)13)17-11-9(15)2-1-3-16-11/h1-5H,15H2.
What are the key properties of 2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine?
2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine has a molecular weight of 305.62 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trichlorophenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 901289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).