2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine

C11H8Cl2N2S — CID 901291

IUPAC2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine
SMILESNc1cccnc1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl2N2S/c12-7-4-8(13)6-9(5-7)16-11-10(14)2-1-3-15-11/h1-6H,14H2
InChIKeyGEIFGEWMNSQMIH-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.12
Rot. Bonds2

About 2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine

2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine (PubChem CID 901291) has the molecular formula C11H8Cl2N2S and a molecular weight of 271.17 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine
PubChem CID901291
Molecular FormulaC11H8Cl2N2S
Molecular Weight271.17 g/mol
Exact Mass269.98
IUPAC Name2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine
SMILESNc1cccnc1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl2N2S/c12-7-4-8(13)6-9(5-7)16-11-10(14)2-1-3-15-11/h1-6H,14H2
InChIKeyGEIFGEWMNSQMIH-UHFFFAOYSA-N
XLogP4.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine?
The IUPAC name of 2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine (CID 901291) is 2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine is Nc1cccnc1Sc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine?
The InChIKey is GEIFGEWMNSQMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2S/c12-7-4-8(13)6-9(5-7)16-11-10(14)2-1-3-15-11/h1-6H,14H2.
What are the key properties of 2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine?
2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine has a molecular weight of 271.17 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 901291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).