5-chloro-2-(3-fluoropropylsulfanyl)pyridine

C8H9ClFNS — CID 141247713

IUPAC5-chloro-2-(3-fluoropropylsulfanyl)pyridine
SMILESFCCCSc1ccc(Cl)cn1
InChIInChI=1S/C8H9ClFNS/c9-7-2-3-8(11-6-7)12-5-1-4-10/h2-3,6H,1,4-5H2
InChIKeyVKIUKCMNAPWVTO-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.19
Rot. Bonds4

About 5-chloro-2-(3-fluoropropylsulfanyl)pyridine

5-chloro-2-(3-fluoropropylsulfanyl)pyridine (PubChem CID 141247713) has the molecular formula C8H9ClFNS and a molecular weight of 205.69 g/mol. Its IUPAC name is 5-chloro-2-(3-fluoropropylsulfanyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(3-fluoropropylsulfanyl)pyridine
PubChem CID141247713
Molecular FormulaC8H9ClFNS
Molecular Weight205.69 g/mol
Exact Mass205.01
IUPAC Name5-chloro-2-(3-fluoropropylsulfanyl)pyridine
SMILESFCCCSc1ccc(Cl)cn1
InChIInChI=1S/C8H9ClFNS/c9-7-2-3-8(11-6-7)12-5-1-4-10/h2-3,6H,1,4-5H2
InChIKeyVKIUKCMNAPWVTO-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-fluoropropylsulfanyl)pyridine?
The IUPAC name of 5-chloro-2-(3-fluoropropylsulfanyl)pyridine (CID 141247713) is 5-chloro-2-(3-fluoropropylsulfanyl)pyridine.
What is the SMILES notation for 5-chloro-2-(3-fluoropropylsulfanyl)pyridine?
The canonical SMILES for 5-chloro-2-(3-fluoropropylsulfanyl)pyridine is FCCCSc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-(3-fluoropropylsulfanyl)pyridine?
The InChIKey is VKIUKCMNAPWVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNS/c9-7-2-3-8(11-6-7)12-5-1-4-10/h2-3,6H,1,4-5H2.
What are the key properties of 5-chloro-2-(3-fluoropropylsulfanyl)pyridine?
5-chloro-2-(3-fluoropropylsulfanyl)pyridine has a molecular weight of 205.69 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-fluoropropylsulfanyl)pyridine is sourced from PubChem (CID 141247713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).