3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine

C12H7Cl2F2NS — CID 55127363

IUPAC3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
SMILESFc1ccc(SCc2nc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C12H7Cl2F2NS/c13-8-2-4-12(14)17-10(8)6-18-11-3-1-7(15)5-9(11)16/h1-5H,6H2
InChIKeyDMYDLERDKYDGCE-UHFFFAOYSA-N
MW306.16 g/mol
LogP4.96
Rot. Bonds3

About 3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine

3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine (PubChem CID 55127363) has the molecular formula C12H7Cl2F2NS and a molecular weight of 306.16 g/mol. Its IUPAC name is 3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
PubChem CID55127363
Molecular FormulaC12H7Cl2F2NS
Molecular Weight306.16 g/mol
Exact Mass304.96
IUPAC Name3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
SMILESFc1ccc(SCc2nc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C12H7Cl2F2NS/c13-8-2-4-12(14)17-10(8)6-18-11-3-1-7(15)5-9(11)16/h1-5H,6H2
InChIKeyDMYDLERDKYDGCE-UHFFFAOYSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 54.96
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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Related Compounds

2-(3-(3-Chlorophenylthio)pent-1-ynyl)-6-methylpyridine
CID 11185714
2-(3-(3-Chlorophenylthio)prop-1-ynyl)-6-methylpyridine
CID 11196589
2-(3-(3-Chlorophenylthio)but-1-ynyl)-6-methylpyridine
CID 11414998
2-(3-(3-Chlorophenylthio)-4-methylpent-1-ynyl)-6-methylpyridine
CID 44415983
2-chloro-6-[(Z)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
CID 162647561
2-chloro-6-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine
CID 162674986
2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
CID 162652019
2-chloro-6-[(E)-2-(4-fluorophenyl)sulfonylethenyl]pyridine
CID 162653234
2-chloro-6-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
CID 162673047
2-(((4-Chlorophenyl)thio)methyl)pyridine, hydrochloride
CID 12953288
2-[(3-Chlorophenyl)sulfanylmethyl]pyridine;hydrochloride
CID 13058694
2-[(2-Chlorophenyl)sulfanylmethyl]pyridine;hydrochloride
CID 13058696

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine?
The IUPAC name of 3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine (CID 55127363) is 3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine is Fc1ccc(SCc2nc(Cl)ccc2Cl)c(F)c1.
What is the InChIKey of 3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine?
The InChIKey is DMYDLERDKYDGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2NS/c13-8-2-4-12(14)17-10(8)6-18-11-3-1-7(15)5-9(11)16/h1-5H,6H2.
What are the key properties of 3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine?
3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine has a molecular weight of 306.16 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 55127363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).