2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine

C18H11ClF3NS — CID 150986572

IUPAC2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine
SMILESFc1ccc(SC(c2ccnc(Cl)c2)c2cc(F)ccc2F)cc1
InChIInChI=1S/C18H11ClF3NS/c19-17-9-11(7-8-23-17)18(15-10-13(21)3-6-16(15)22)24-14-4-1-12(20)2-5-14/h1-10,18H
InChIKeyLRFBZIIEJXLECQ-UHFFFAOYSA-N
MW365.81 g/mol
LogP6.03
Rot. Bonds4

About 2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine

2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine (PubChem CID 150986572) has the molecular formula C18H11ClF3NS and a molecular weight of 365.81 g/mol. Its IUPAC name is 2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine
PubChem CID150986572
Molecular FormulaC18H11ClF3NS
Molecular Weight365.81 g/mol
Exact Mass365.03
IUPAC Name2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine
SMILESFc1ccc(SC(c2ccnc(Cl)c2)c2cc(F)ccc2F)cc1
InChIInChI=1S/C18H11ClF3NS/c19-17-9-11(7-8-23-17)18(15-10-13(21)3-6-16(15)22)24-14-4-1-12(20)2-5-14/h1-10,18H
InChIKeyLRFBZIIEJXLECQ-UHFFFAOYSA-N
XLogP6.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.81
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine?
The IUPAC name of 2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine (CID 150986572) is 2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine is Fc1ccc(SC(c2ccnc(Cl)c2)c2cc(F)ccc2F)cc1.
What is the InChIKey of 2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine?
The InChIKey is LRFBZIIEJXLECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3NS/c19-17-9-11(7-8-23-17)18(15-10-13(21)3-6-16(15)22)24-14-4-1-12(20)2-5-14/h1-10,18H.
What are the key properties of 2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine?
2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine has a molecular weight of 365.81 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 150986572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).