3,5-difluoro-2,6-bis(methylsulfanyl)pyridine

C7H7F2NS2 — CID 91495772

IUPAC3,5-difluoro-2,6-bis(methylsulfanyl)pyridine
SMILESCSc1nc(SC)c(F)cc1F
InChIInChI=1S/C7H7F2NS2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,1-2H3
InChIKeyZXEAOWQSBAFRPK-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.80
Rot. Bonds2

About 3,5-difluoro-2,6-bis(methylsulfanyl)pyridine

3,5-difluoro-2,6-bis(methylsulfanyl)pyridine (PubChem CID 91495772) has the molecular formula C7H7F2NS2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3,5-difluoro-2,6-bis(methylsulfanyl)pyridine.

Molecular Properties

Compound Name3,5-difluoro-2,6-bis(methylsulfanyl)pyridine
PubChem CID91495772
Molecular FormulaC7H7F2NS2
Molecular Weight207.27 g/mol
Exact Mass207.00
IUPAC Name3,5-difluoro-2,6-bis(methylsulfanyl)pyridine
SMILESCSc1nc(SC)c(F)cc1F
InChIInChI=1S/C7H7F2NS2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,1-2H3
InChIKeyZXEAOWQSBAFRPK-UHFFFAOYSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine
CID 59589116
6-chloro-1-methylsulfanylisoquinoline
CID 119093013
1,2,3,5-tetrafluoro-4-methylsulfanylbenzene
CID 59336372
2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane
CID 91560240
1,2,4,5-tetrafluorobenzene;zinc
CID 174910497
3,5-difluoro-6-(2-fluorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 114073809
6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine
CID 114073788
6-methyl-2,3-bis(methylsulfanyl)quinoxaline
CID 139445231
3,5-dichloro-6-methylsulfanylpyridin-2-amine
CID 102761414
5-methyl-4,6-bis(methylsulfanyl)pyrimidine
CID 23403399
ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline
CID 145314950
2,6-difluoro-5-methylsulfanyl-1-benzothiophene
CID 130969665

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2,6-bis(methylsulfanyl)pyridine?
The IUPAC name of 3,5-difluoro-2,6-bis(methylsulfanyl)pyridine (CID 91495772) is 3,5-difluoro-2,6-bis(methylsulfanyl)pyridine.
What is the SMILES notation for 3,5-difluoro-2,6-bis(methylsulfanyl)pyridine?
The canonical SMILES for 3,5-difluoro-2,6-bis(methylsulfanyl)pyridine is CSc1nc(SC)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-2,6-bis(methylsulfanyl)pyridine?
The InChIKey is ZXEAOWQSBAFRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NS2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,1-2H3.
What are the key properties of 3,5-difluoro-2,6-bis(methylsulfanyl)pyridine?
3,5-difluoro-2,6-bis(methylsulfanyl)pyridine has a molecular weight of 207.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2,6-bis(methylsulfanyl)pyridine is sourced from PubChem (CID 91495772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).