2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine

C9H8ClF3N2S — CID 62784818

IUPAC2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(SC2CNC2)c(Cl)c1
InChIInChI=1S/C9H8ClF3N2S/c10-7-1-5(9(11,12)13)2-15-8(7)16-6-3-14-4-6/h1-2,6,14H,3-4H2
InChIKeyFOEPZAKBCRMXRB-UHFFFAOYSA-N
MW268.69 g/mol
LogP2.82
Rot. Bonds2

About 2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine

2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine (PubChem CID 62784818) has the molecular formula C9H8ClF3N2S and a molecular weight of 268.69 g/mol. Its IUPAC name is 2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine
PubChem CID62784818
Molecular FormulaC9H8ClF3N2S
Molecular Weight268.69 g/mol
Exact Mass268.00
IUPAC Name2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(SC2CNC2)c(Cl)c1
InChIInChI=1S/C9H8ClF3N2S/c10-7-1-5(9(11,12)13)2-15-8(7)16-6-3-14-4-6/h1-2,6,14H,3-4H2
InChIKeyFOEPZAKBCRMXRB-UHFFFAOYSA-N
XLogP2.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide
CID 142725121
3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 1473940
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine;hydrochloride
CID 43810441
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-2-ol
CID 86777244
(3aS,6aS)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43599203
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid
CID 81231058
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3,5-difluoroaniline
CID 61371607
3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744944
3-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744942
3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine
CID 55206297
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine (CID 62784818) is 2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(SC2CNC2)c(Cl)c1.
What is the InChIKey of 2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine?
The InChIKey is FOEPZAKBCRMXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2S/c10-7-1-5(9(11,12)13)2-15-8(7)16-6-3-14-4-6/h1-2,6,14H,3-4H2.
What are the key properties of 2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine?
2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine has a molecular weight of 268.69 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 62784818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).