3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine

C11H7Cl3N2S — CID 102761364

IUPAC3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine
SMILESNc1nc(Sc2ccccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl3N2S/c12-6-3-1-2-4-9(6)17-11-8(14)5-7(13)10(15)16-11/h1-5H,(H2,15,16)
InChIKeyRZCJEKJTKJHTHS-UHFFFAOYSA-N
MW305.62 g/mol
LogP4.78
Rot. Bonds2

About 3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine

3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine (PubChem CID 102761364) has the molecular formula C11H7Cl3N2S and a molecular weight of 305.62 g/mol. Its IUPAC name is 3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine
PubChem CID102761364
Molecular FormulaC11H7Cl3N2S
Molecular Weight305.62 g/mol
Exact Mass303.94
IUPAC Name3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine
SMILESNc1nc(Sc2ccccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl3N2S/c12-6-3-1-2-4-9(6)17-11-8(14)5-7(13)10(15)16-11/h1-5H,(H2,15,16)
InChIKeyRZCJEKJTKJHTHS-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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine (CID 102761364) is 3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine is Nc1nc(Sc2ccccc2Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine?
The InChIKey is RZCJEKJTKJHTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2S/c12-6-3-1-2-4-9(6)17-11-8(14)5-7(13)10(15)16-11/h1-5H,(H2,15,16).
What are the key properties of 3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine?
3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-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 3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine is sourced from PubChem (CID 102761364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).