4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione

C10H6ClF3N2O2S — CID 2825953

IUPAC4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H6ClF3N2O2S/c11-6-1-5(10(12,13)14)2-15-9(6)16-7(17)3-19-4-8(16)18/h1-2H,3-4H2
InChIKeyXOFDVLTYBHPQEN-UHFFFAOYSA-N
MW310.68 g/mol
LogP2.36
Rot. Bonds1

About 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione (PubChem CID 2825953) has the molecular formula C10H6ClF3N2O2S and a molecular weight of 310.68 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione
PubChem CID2825953
Molecular FormulaC10H6ClF3N2O2S
Molecular Weight310.68 g/mol
Exact Mass309.98
IUPAC Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H6ClF3N2O2S/c11-6-1-5(10(12,13)14)2-15-9(6)16-7(17)3-19-4-8(16)18/h1-2H,3-4H2
InChIKeyXOFDVLTYBHPQEN-UHFFFAOYSA-N
XLogP2.36
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.68
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thiomorpholine
CID 2821299
2-Chloro-1-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethan-1-one
CID 735808
Ethyl 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 4024930
N-(tert-butylcarbamoyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 5701540
N-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pivalamide
CID 885766
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide
CID 2333297
N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(pyrimidin-2-ylthio)acetamide
CID 798500
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
CID 4328595
6-chloro-3-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2,4(1H,3H)-pyrimidinedione
CID 2768895
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 135416939
3-(5-Chloro-pyridin-2-yl)-2-(2,6-difluoro-phenyl)-thiazolidin-4-one
CID 501032
2-(benzylsulfanyl)-N-(5-chloropyridin-2-yl)acetamide
CID 2084132

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione (CID 2825953) is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione is O=C1CSCC(=O)N1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione?
The InChIKey is XOFDVLTYBHPQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O2S/c11-6-1-5(10(12,13)14)2-15-9(6)16-7(17)3-19-4-8(16)18/h1-2H,3-4H2.
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione?
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione has a molecular weight of 310.68 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine-3,5-dione is sourced from PubChem (CID 2825953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).