6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine

C11H8Cl2N2S — CID 2800120

IUPAC6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine
SMILESNc1ccc(Sc2cc(Cl)ccc2Cl)nc1
InChIInChI=1S/C11H8Cl2N2S/c12-7-1-3-9(13)10(5-7)16-11-4-2-8(14)6-15-11/h1-6H,14H2
InChIKeySNXRLTPQEPXSJN-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.12
Rot. Bonds2

About 6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine

6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine (PubChem CID 2800120) has the molecular formula C11H8Cl2N2S and a molecular weight of 271.17 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine
PubChem CID2800120
Molecular FormulaC11H8Cl2N2S
Molecular Weight271.17 g/mol
Exact Mass269.98
IUPAC Name6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine
SMILESNc1ccc(Sc2cc(Cl)ccc2Cl)nc1
InChIInChI=1S/C11H8Cl2N2S/c12-7-1-3-9(13)10(5-7)16-11-4-2-8(14)6-15-11/h1-6H,14H2
InChIKeySNXRLTPQEPXSJN-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 6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine?
The IUPAC name of 6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine (CID 2800120) is 6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine is Nc1ccc(Sc2cc(Cl)ccc2Cl)nc1.
What is the InChIKey of 6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine?
The InChIKey is SNXRLTPQEPXSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2S/c12-7-1-3-9(13)10(5-7)16-11-4-2-8(14)6-15-11/h1-6H,14H2.
What are the key properties of 6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine?
6-(2,5-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 6-(2,5-dichlorophenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 2800120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).