3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine

C8H8ClF2NS — CID 170557073

IUPAC3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine
SMILESCCSc1ccc(Cl)c(C(F)F)n1
InChIInChI=1S/C8H8ClF2NS/c1-2-13-6-4-3-5(9)7(12-6)8(10)11/h3-4,8H,2H2,1H3
InChIKeyYDMWAIVJYKPVOI-UHFFFAOYSA-N
MW223.68 g/mol
LogP3.78
Rot. Bonds3

About 3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine

3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine (PubChem CID 170557073) has the molecular formula C8H8ClF2NS and a molecular weight of 223.68 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine
PubChem CID170557073
Molecular FormulaC8H8ClF2NS
Molecular Weight223.68 g/mol
Exact Mass223.00
IUPAC Name3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine
SMILESCCSc1ccc(Cl)c(C(F)F)n1
InChIInChI=1S/C8H8ClF2NS/c1-2-13-6-4-3-5(9)7(12-6)8(10)11/h3-4,8H,2H2,1H3
InChIKeyYDMWAIVJYKPVOI-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine?
The IUPAC name of 3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine (CID 170557073) is 3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine is CCSc1ccc(Cl)c(C(F)F)n1.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine?
The InChIKey is YDMWAIVJYKPVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NS/c1-2-13-6-4-3-5(9)7(12-6)8(10)11/h3-4,8H,2H2,1H3.
What are the key properties of 3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine?
3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine has a molecular weight of 223.68 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(difluoromethyl)-6-ethylsulfanylpyridine is sourced from PubChem (CID 170557073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).