2-(2,2-difluoroethylsulfanyl)-3-methylpyridine

C8H9F2NS — CID 131020461

IUPAC2-(2,2-difluoroethylsulfanyl)-3-methylpyridine
SMILESCc1cccnc1SCC(F)F
InChIInChI=1S/C8H9F2NS/c1-6-3-2-4-11-8(6)12-5-7(9)10/h2-4,7H,5H2,1H3
InChIKeyVEJQBFVRZBTPRG-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.75
Rot. Bonds3

About 2-(2,2-difluoroethylsulfanyl)-3-methylpyridine

2-(2,2-difluoroethylsulfanyl)-3-methylpyridine (PubChem CID 131020461) has the molecular formula C8H9F2NS and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-(2,2-difluoroethylsulfanyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(2,2-difluoroethylsulfanyl)-3-methylpyridine
PubChem CID131020461
Molecular FormulaC8H9F2NS
Molecular Weight189.23 g/mol
Exact Mass189.04
IUPAC Name2-(2,2-difluoroethylsulfanyl)-3-methylpyridine
SMILESCc1cccnc1SCC(F)F
InChIInChI=1S/C8H9F2NS/c1-6-3-2-4-11-8(6)12-5-7(9)10/h2-4,7H,5H2,1H3
InChIKeyVEJQBFVRZBTPRG-UHFFFAOYSA-N
XLogP2.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylsulfanyl)-3-methylpyridine?
The IUPAC name of 2-(2,2-difluoroethylsulfanyl)-3-methylpyridine (CID 131020461) is 2-(2,2-difluoroethylsulfanyl)-3-methylpyridine.
What is the SMILES notation for 2-(2,2-difluoroethylsulfanyl)-3-methylpyridine?
The canonical SMILES for 2-(2,2-difluoroethylsulfanyl)-3-methylpyridine is Cc1cccnc1SCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylsulfanyl)-3-methylpyridine?
The InChIKey is VEJQBFVRZBTPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NS/c1-6-3-2-4-11-8(6)12-5-7(9)10/h2-4,7H,5H2,1H3.
What are the key properties of 2-(2,2-difluoroethylsulfanyl)-3-methylpyridine?
2-(2,2-difluoroethylsulfanyl)-3-methylpyridine has a molecular weight of 189.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylsulfanyl)-3-methylpyridine is sourced from PubChem (CID 131020461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).