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

C12H8ClF2NS — CID 62045799

IUPAC2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
SMILESFc1ccc(SCc2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C12H8ClF2NS/c13-12-5-8(3-4-16-12)7-17-11-2-1-9(14)6-10(11)15/h1-6H,7H2
InChIKeyAYNYCIFBFOLMAS-UHFFFAOYSA-N
MW271.72 g/mol
LogP4.31
Rot. Bonds3

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

2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine (PubChem CID 62045799) has the molecular formula C12H8ClF2NS and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
PubChem CID62045799
Molecular FormulaC12H8ClF2NS
Molecular Weight271.72 g/mol
Exact Mass271.00
IUPAC Name2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
SMILESFc1ccc(SCc2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C12H8ClF2NS/c13-12-5-8(3-4-16-12)7-17-11-2-1-9(14)6-10(11)15/h1-6H,7H2
InChIKeyAYNYCIFBFOLMAS-UHFFFAOYSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 54.31
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-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine?
The IUPAC name of 2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine (CID 62045799) is 2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine is Fc1ccc(SCc2ccnc(Cl)c2)c(F)c1.
What is the InChIKey of 2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine?
The InChIKey is AYNYCIFBFOLMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NS/c13-12-5-8(3-4-16-12)7-17-11-2-1-9(14)6-10(11)15/h1-6H,7H2.
What are the key properties of 2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine?
2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine has a molecular weight of 271.72 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 62045799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).