2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine

C10H9ClF3NS — CID 141465142

IUPAC2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine
SMILESFC(F)=C(F)CCSCc1ccc(Cl)nc1
InChIInChI=1S/C10H9ClF3NS/c11-9-2-1-7(5-15-9)6-16-4-3-8(12)10(13)14/h1-2,5H,3-4,6H2
InChIKeyXCAHKFHIWYVXMN-UHFFFAOYSA-N
MW267.70 g/mol
LogP4.44
Rot. Bonds5

About 2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine

2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine (PubChem CID 141465142) has the molecular formula C10H9ClF3NS and a molecular weight of 267.70 g/mol. Its IUPAC name is 2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine
PubChem CID141465142
Molecular FormulaC10H9ClF3NS
Molecular Weight267.70 g/mol
Exact Mass267.01
IUPAC Name2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine
SMILESFC(F)=C(F)CCSCc1ccc(Cl)nc1
InChIInChI=1S/C10H9ClF3NS/c11-9-2-1-7(5-15-9)6-16-4-3-8(12)10(13)14/h1-2,5H,3-4,6H2
InChIKeyXCAHKFHIWYVXMN-UHFFFAOYSA-N
XLogP4.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine?
The IUPAC name of 2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine (CID 141465142) is 2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine.
What is the SMILES notation for 2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine?
The canonical SMILES for 2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine is FC(F)=C(F)CCSCc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine?
The InChIKey is XCAHKFHIWYVXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NS/c11-9-2-1-7(5-15-9)6-16-4-3-8(12)10(13)14/h1-2,5H,3-4,6H2.
What are the key properties of 2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine?
2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine has a molecular weight of 267.70 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4,4-trifluorobut-3-enylsulfanylmethyl)pyridine is sourced from PubChem (CID 141465142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).