3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine

C12H8ClF3N2S — CID 2766735

IUPAC3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(CSc2ccccn2)c(Cl)c1
InChIInChI=1S/C12H8ClF3N2S/c13-9-5-8(12(14,15)16)6-18-10(9)7-19-11-3-1-2-4-17-11/h1-6H,7H2
InChIKeyMYWZUOGQYFDJGY-UHFFFAOYSA-N
MW304.72 g/mol
LogP4.44
Rot. Bonds3

About 3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine

3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine (PubChem CID 2766735) has the molecular formula C12H8ClF3N2S and a molecular weight of 304.72 g/mol. Its IUPAC name is 3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine
PubChem CID2766735
Molecular FormulaC12H8ClF3N2S
Molecular Weight304.72 g/mol
Exact Mass304.00
IUPAC Name3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(CSc2ccccn2)c(Cl)c1
InChIInChI=1S/C12H8ClF3N2S/c13-9-5-8(12(14,15)16)6-18-10(9)7-19-11-3-1-2-4-17-11/h1-6H,7H2
InChIKeyMYWZUOGQYFDJGY-UHFFFAOYSA-N
XLogP4.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
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3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine
CID 134966661
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
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2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine
CID 63196526
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1491777
2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 1475890
2-butyl-3-chloro-5-(trifluoromethyl)pyridine
CID 68842183
2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine
CID 166452013
3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744944
2-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]isoindole-1,3-dione
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3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
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CID 2768197

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine (CID 2766735) is 3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(CSc2ccccn2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine?
The InChIKey is MYWZUOGQYFDJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2S/c13-9-5-8(12(14,15)16)6-18-10(9)7-19-11-3-1-2-4-17-11/h1-6H,7H2.
What are the key properties of 3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine has a molecular weight of 304.72 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2766735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).