3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine

C11H10Cl2N2OS — CID 102761283

IUPAC3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine
SMILESCNc1nc(SCc2ccco2)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2OS/c1-14-10-8(12)5-9(13)11(15-10)17-6-7-3-2-4-16-7/h2-5H,6H2,1H3,(H,14,15)
InChIKeyQSNJTLMOGRUOOG-UHFFFAOYSA-N
MW289.19 g/mol
LogP4.32
Rot. Bonds4

About 3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine

3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine (PubChem CID 102761283) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine
PubChem CID102761283
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine
SMILESCNc1nc(SCc2ccco2)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2OS/c1-14-10-8(12)5-9(13)11(15-10)17-6-7-3-2-4-16-7/h2-5H,6H2,1H3,(H,14,15)
InChIKeyQSNJTLMOGRUOOG-UHFFFAOYSA-N
XLogP4.32
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine (CID 102761283) is 3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine is CNc1nc(SCc2ccco2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine?
The InChIKey is QSNJTLMOGRUOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c1-14-10-8(12)5-9(13)11(15-10)17-6-7-3-2-4-16-7/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine?
3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine has a molecular weight of 289.19 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(furan-2-ylmethylsulfanyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 102761283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).