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

C12H8ClF2NS — CID 78846715

IUPAC3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine
SMILESFc1ccc(CSc2ncccc2Cl)cc1F
InChIInChI=1S/C12H8ClF2NS/c13-9-2-1-5-16-12(9)17-7-8-3-4-10(14)11(15)6-8/h1-6H,7H2
InChIKeyLSPMGXLRVPZJHP-UHFFFAOYSA-N
MW271.72 g/mol
LogP4.31
Rot. Bonds3

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

3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine (PubChem CID 78846715) has the molecular formula C12H8ClF2NS and a molecular weight of 271.72 g/mol. Its IUPAC name is 3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine
PubChem CID78846715
Molecular FormulaC12H8ClF2NS
Molecular Weight271.72 g/mol
Exact Mass271.00
IUPAC Name3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine
SMILESFc1ccc(CSc2ncccc2Cl)cc1F
InChIInChI=1S/C12H8ClF2NS/c13-9-2-1-5-16-12(9)17-7-8-3-4-10(14)11(15)6-8/h1-6H,7H2
InChIKeyLSPMGXLRVPZJHP-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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Related Compounds

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3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
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2-benzylsulfanyl-3-chloropyridine;formic acid
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[3-[(3-chloro-2-pyridinyl)sulfanylmethyl]-2-fluorophenyl]methanamine
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3-chloro-2-(2-chloroethylsulfanyl)pyridine
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2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
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3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300706
5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole
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8-[(4-chlorophenyl)methylsulfanyl]-2-[(3,4-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
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1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine?
The IUPAC name of 3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine (CID 78846715) is 3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine.
What is the SMILES notation for 3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine?
The canonical SMILES for 3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine is Fc1ccc(CSc2ncccc2Cl)cc1F.
What is the InChIKey of 3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine?
The InChIKey is LSPMGXLRVPZJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NS/c13-9-2-1-5-16-12(9)17-7-8-3-4-10(14)11(15)6-8/h1-6H,7H2.
What are the key properties of 3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine?
3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]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 3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine is sourced from PubChem (CID 78846715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).