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

C10H10ClF3N2S — CID 2821299

IUPAC4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine
SMILESFC(F)(F)c1cnc(N2CCSCC2)c(Cl)c1
InChIInChI=1S/C10H10ClF3N2S/c11-8-5-7(10(12,13)14)6-15-9(8)16-1-3-17-4-2-16/h5-6H,1-4H2
InChIKeyCHFGQFUWSRSWDN-UHFFFAOYSA-N
MW282.72 g/mol
LogP3.31
Rot. Bonds1

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

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine (PubChem CID 2821299) has the molecular formula C10H10ClF3N2S and a molecular weight of 282.72 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine
PubChem CID2821299
Molecular FormulaC10H10ClF3N2S
Molecular Weight282.72 g/mol
Exact Mass282.02
IUPAC Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine
SMILESFC(F)(F)c1cnc(N2CCSCC2)c(Cl)c1
InChIInChI=1S/C10H10ClF3N2S/c11-8-5-7(10(12,13)14)6-15-9(8)16-1-3-17-4-2-16/h5-6H,1-4H2
InChIKeyCHFGQFUWSRSWDN-UHFFFAOYSA-N
XLogP3.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine (CID 2821299) is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine is FC(F)(F)c1cnc(N2CCSCC2)c(Cl)c1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine?
The InChIKey is CHFGQFUWSRSWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2S/c11-8-5-7(10(12,13)14)6-15-9(8)16-1-3-17-4-2-16/h5-6H,1-4H2.
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine?
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine has a molecular weight of 282.72 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiomorpholine is sourced from PubChem (CID 2821299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).