2-(3-chlorophenyl)sulfanylpyridin-3-amine

C11H9ClN2S — CID 901296

IUPAC2-(3-chlorophenyl)sulfanylpyridin-3-amine
SMILESNc1cccnc1Sc1cccc(Cl)c1
InChIInChI=1S/C11H9ClN2S/c12-8-3-1-4-9(7-8)15-11-10(13)5-2-6-14-11/h1-7H,13H2
InChIKeyKOIPKZDLBZKPCI-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.47
Rot. Bonds2

About 2-(3-chlorophenyl)sulfanylpyridin-3-amine

2-(3-chlorophenyl)sulfanylpyridin-3-amine (PubChem CID 901296) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanylpyridin-3-amine
PubChem CID901296
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name2-(3-chlorophenyl)sulfanylpyridin-3-amine
SMILESNc1cccnc1Sc1cccc(Cl)c1
InChIInChI=1S/C11H9ClN2S/c12-8-3-1-4-9(7-8)15-11-10(13)5-2-6-14-11/h1-7H,13H2
InChIKeyKOIPKZDLBZKPCI-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanylpyridin-3-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfanylpyridin-3-amine (CID 901296) is 2-(3-chlorophenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfanylpyridin-3-amine is Nc1cccnc1Sc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanylpyridin-3-amine?
The InChIKey is KOIPKZDLBZKPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c12-8-3-1-4-9(7-8)15-11-10(13)5-2-6-14-11/h1-7H,13H2.
What are the key properties of 2-(3-chlorophenyl)sulfanylpyridin-3-amine?
2-(3-chlorophenyl)sulfanylpyridin-3-amine has a molecular weight of 236.73 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 901296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).