2-chloro-3-ethylsulfanylpyridine

C7H8ClNS — CID 119093767

IUPAC2-chloro-3-ethylsulfanylpyridine
SMILESCCSc1cccnc1Cl
InChIInChI=1S/C7H8ClNS/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
InChIKeyBOAFKWLJKZWSLY-UHFFFAOYSA-N
MW173.67 g/mol
LogP2.85
Rot. Bonds2

About 2-chloro-3-ethylsulfanylpyridine

2-chloro-3-ethylsulfanylpyridine (PubChem CID 119093767) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is 2-chloro-3-ethylsulfanylpyridine.

Molecular Properties

Compound Name2-chloro-3-ethylsulfanylpyridine
PubChem CID119093767
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC Name2-chloro-3-ethylsulfanylpyridine
SMILESCCSc1cccnc1Cl
InChIInChI=1S/C7H8ClNS/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
InChIKeyBOAFKWLJKZWSLY-UHFFFAOYSA-N
XLogP2.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.85
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 2-chloro-3-ethylsulfanylpyridine?
The IUPAC name of 2-chloro-3-ethylsulfanylpyridine (CID 119093767) is 2-chloro-3-ethylsulfanylpyridine.
What is the SMILES notation for 2-chloro-3-ethylsulfanylpyridine?
The canonical SMILES for 2-chloro-3-ethylsulfanylpyridine is CCSc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-ethylsulfanylpyridine?
The InChIKey is BOAFKWLJKZWSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-3-ethylsulfanylpyridine?
2-chloro-3-ethylsulfanylpyridine has a molecular weight of 173.67 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethylsulfanylpyridine is sourced from PubChem (CID 119093767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).