1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine

C13H12Cl2N2S — CID 83123407

IUPAC1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(Sc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C13H12Cl2N2S/c1-8(16)12-5-3-10(7-17-12)18-13-6-9(14)2-4-11(13)15/h2-8H,16H2,1H3
InChIKeyATVPXZNVIXYQBE-UHFFFAOYSA-N
MW299.23 g/mol
LogP4.56
Rot. Bonds3

About 1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine

1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine (PubChem CID 83123407) has the molecular formula C13H12Cl2N2S and a molecular weight of 299.23 g/mol. Its IUPAC name is 1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine
PubChem CID83123407
Molecular FormulaC13H12Cl2N2S
Molecular Weight299.23 g/mol
Exact Mass298.01
IUPAC Name1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(Sc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C13H12Cl2N2S/c1-8(16)12-5-3-10(7-17-12)18-13-6-9(14)2-4-11(13)15/h2-8H,16H2,1H3
InChIKeyATVPXZNVIXYQBE-UHFFFAOYSA-N
XLogP4.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine (CID 83123407) is 1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine is CC(N)c1ccc(Sc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of 1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine?
The InChIKey is ATVPXZNVIXYQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2S/c1-8(16)12-5-3-10(7-17-12)18-13-6-9(14)2-4-11(13)15/h2-8H,16H2,1H3.
What are the key properties of 1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine?
1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine has a molecular weight of 299.23 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).