6-(4-chlorophenyl)sulfanylpyridin-3-amine

C11H9ClN2S — CID 2800127

IUPAC6-(4-chlorophenyl)sulfanylpyridin-3-amine
SMILESNc1ccc(Sc2ccc(Cl)cc2)nc1
InChIInChI=1S/C11H9ClN2S/c12-8-1-4-10(5-2-8)15-11-6-3-9(13)7-14-11/h1-7H,13H2
InChIKeyMGGFMQJJHUULTL-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.47
Rot. Bonds2

About 6-(4-chlorophenyl)sulfanylpyridin-3-amine

6-(4-chlorophenyl)sulfanylpyridin-3-amine (PubChem CID 2800127) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfanylpyridin-3-amine
PubChem CID2800127
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name6-(4-chlorophenyl)sulfanylpyridin-3-amine
SMILESNc1ccc(Sc2ccc(Cl)cc2)nc1
InChIInChI=1S/C11H9ClN2S/c12-8-1-4-10(5-2-8)15-11-6-3-9(13)7-14-11/h1-7H,13H2
InChIKeyMGGFMQJJHUULTL-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 6-(4-chlorophenyl)sulfanylpyridin-3-amine?
The IUPAC name of 6-(4-chlorophenyl)sulfanylpyridin-3-amine (CID 2800127) is 6-(4-chlorophenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 6-(4-chlorophenyl)sulfanylpyridin-3-amine is Nc1ccc(Sc2ccc(Cl)cc2)nc1.
What is the InChIKey of 6-(4-chlorophenyl)sulfanylpyridin-3-amine?
The InChIKey is MGGFMQJJHUULTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c12-8-1-4-10(5-2-8)15-11-6-3-9(13)7-14-11/h1-7H,13H2.
What are the key properties of 6-(4-chlorophenyl)sulfanylpyridin-3-amine?
6-(4-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 6-(4-chlorophenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 2800127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).