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

C12H8ClF2NS — CID 79245162

IUPAC4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine
SMILESFc1ccc(SCc2cc(Cl)ccn2)cc1F
InChIInChI=1S/C12H8ClF2NS/c13-8-3-4-16-9(5-8)7-17-10-1-2-11(14)12(15)6-10/h1-6H,7H2
InChIKeyBSRNMTLCUJYOSC-UHFFFAOYSA-N
MW271.72 g/mol
LogP4.31
Rot. Bonds3

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

4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine (PubChem CID 79245162) has the molecular formula C12H8ClF2NS and a molecular weight of 271.72 g/mol. Its IUPAC name is 4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine
PubChem CID79245162
Molecular FormulaC12H8ClF2NS
Molecular Weight271.72 g/mol
Exact Mass271.00
IUPAC Name4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine
SMILESFc1ccc(SCc2cc(Cl)ccn2)cc1F
InChIInChI=1S/C12H8ClF2NS/c13-8-3-4-16-9(5-8)7-17-10-1-2-11(14)12(15)6-10/h1-6H,7H2
InChIKeyBSRNMTLCUJYOSC-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine?
The IUPAC name of 4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine (CID 79245162) is 4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine is Fc1ccc(SCc2cc(Cl)ccn2)cc1F.
What is the InChIKey of 4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine?
The InChIKey is BSRNMTLCUJYOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NS/c13-8-3-4-16-9(5-8)7-17-10-1-2-11(14)12(15)6-10/h1-6H,7H2.
What are the key properties of 4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine?
4-chloro-2-[(3,4-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 4-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 79245162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).