4,6-dichloro-N-phenylsulfanylpyridin-2-amine

C11H8Cl2N2S — CID 163248572

IUPAC4,6-dichloro-N-phenylsulfanylpyridin-2-amine
SMILESClc1cc(Cl)nc(NSc2ccccc2)c1
InChIInChI=1S/C11H8Cl2N2S/c12-8-6-10(13)14-11(7-8)15-16-9-4-2-1-3-5-9/h1-7H,(H,14,15)
InChIKeySTJKZYWJJKCVTR-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.51
Rot. Bonds3

About 4,6-dichloro-N-phenylsulfanylpyridin-2-amine

4,6-dichloro-N-phenylsulfanylpyridin-2-amine (PubChem CID 163248572) has the molecular formula C11H8Cl2N2S and a molecular weight of 271.17 g/mol. Its IUPAC name is 4,6-dichloro-N-phenylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-phenylsulfanylpyridin-2-amine
PubChem CID163248572
Molecular FormulaC11H8Cl2N2S
Molecular Weight271.17 g/mol
Exact Mass269.98
IUPAC Name4,6-dichloro-N-phenylsulfanylpyridin-2-amine
SMILESClc1cc(Cl)nc(NSc2ccccc2)c1
InChIInChI=1S/C11H8Cl2N2S/c12-8-6-10(13)14-11(7-8)15-16-9-4-2-1-3-5-9/h1-7H,(H,14,15)
InChIKeySTJKZYWJJKCVTR-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-phenylsulfanylpyridin-2-amine?
The IUPAC name of 4,6-dichloro-N-phenylsulfanylpyridin-2-amine (CID 163248572) is 4,6-dichloro-N-phenylsulfanylpyridin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-phenylsulfanylpyridin-2-amine?
The canonical SMILES for 4,6-dichloro-N-phenylsulfanylpyridin-2-amine is Clc1cc(Cl)nc(NSc2ccccc2)c1.
What is the InChIKey of 4,6-dichloro-N-phenylsulfanylpyridin-2-amine?
The InChIKey is STJKZYWJJKCVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2S/c12-8-6-10(13)14-11(7-8)15-16-9-4-2-1-3-5-9/h1-7H,(H,14,15).
What are the key properties of 4,6-dichloro-N-phenylsulfanylpyridin-2-amine?
4,6-dichloro-N-phenylsulfanylpyridin-2-amine has a molecular weight of 271.17 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-phenylsulfanylpyridin-2-amine is sourced from PubChem (CID 163248572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).