2-chloro-3-(2-ethylsulfanylethoxy)pyridine

C9H12ClNOS — CID 115646957

IUPAC2-chloro-3-(2-ethylsulfanylethoxy)pyridine
SMILESCCSCCOc1cccnc1Cl
InChIInChI=1S/C9H12ClNOS/c1-2-13-7-6-12-8-4-3-5-11-9(8)10/h3-5H,2,6-7H2,1H3
InChIKeyDTGRGFUZPGSMKC-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.87
Rot. Bonds5

About 2-chloro-3-(2-ethylsulfanylethoxy)pyridine

2-chloro-3-(2-ethylsulfanylethoxy)pyridine (PubChem CID 115646957) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 2-chloro-3-(2-ethylsulfanylethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-(2-ethylsulfanylethoxy)pyridine
PubChem CID115646957
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name2-chloro-3-(2-ethylsulfanylethoxy)pyridine
SMILESCCSCCOc1cccnc1Cl
InChIInChI=1S/C9H12ClNOS/c1-2-13-7-6-12-8-4-3-5-11-9(8)10/h3-5H,2,6-7H2,1H3
InChIKeyDTGRGFUZPGSMKC-UHFFFAOYSA-N
XLogP2.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-ethylsulfanylethoxy)pyridine?
The IUPAC name of 2-chloro-3-(2-ethylsulfanylethoxy)pyridine (CID 115646957) is 2-chloro-3-(2-ethylsulfanylethoxy)pyridine.
What is the SMILES notation for 2-chloro-3-(2-ethylsulfanylethoxy)pyridine?
The canonical SMILES for 2-chloro-3-(2-ethylsulfanylethoxy)pyridine is CCSCCOc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-(2-ethylsulfanylethoxy)pyridine?
The InChIKey is DTGRGFUZPGSMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-2-13-7-6-12-8-4-3-5-11-9(8)10/h3-5H,2,6-7H2,1H3.
What are the key properties of 2-chloro-3-(2-ethylsulfanylethoxy)pyridine?
2-chloro-3-(2-ethylsulfanylethoxy)pyridine has a molecular weight of 217.72 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-ethylsulfanylethoxy)pyridine is sourced from PubChem (CID 115646957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).