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

C8H8ClF2NS — CID 170557087

IUPAC6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine
SMILESCCSc1ccc(Cl)nc1C(F)F
InChIInChI=1S/C8H8ClF2NS/c1-2-13-5-3-4-6(9)12-7(5)8(10)11/h3-4,8H,2H2,1H3
InChIKeyDLKRFRKYASDHFP-UHFFFAOYSA-N
MW223.68 g/mol
LogP3.78
Rot. Bonds3

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

6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine (PubChem CID 170557087) has the molecular formula C8H8ClF2NS and a molecular weight of 223.68 g/mol. Its IUPAC name is 6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine.

Molecular Properties

Compound Name6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine
PubChem CID170557087
Molecular FormulaC8H8ClF2NS
Molecular Weight223.68 g/mol
Exact Mass223.00
IUPAC Name6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine
SMILESCCSc1ccc(Cl)nc1C(F)F
InChIInChI=1S/C8H8ClF2NS/c1-2-13-5-3-4-6(9)12-7(5)8(10)11/h3-4,8H,2H2,1H3
InChIKeyDLKRFRKYASDHFP-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine?
The IUPAC name of 6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine (CID 170557087) is 6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine.
What is the SMILES notation for 6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine?
The canonical SMILES for 6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine is CCSc1ccc(Cl)nc1C(F)F.
What is the InChIKey of 6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine?
The InChIKey is DLKRFRKYASDHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NS/c1-2-13-5-3-4-6(9)12-7(5)8(10)11/h3-4,8H,2H2,1H3.
What are the key properties of 6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine?
6-chloro-2-(difluoromethyl)-3-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 6-chloro-2-(difluoromethyl)-3-ethylsulfanylpyridine is sourced from PubChem (CID 170557087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).