4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine

C11H14ClFN2S — CID 79728718

IUPAC4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine
SMILESCC1CN(c2ncc(Cl)cc2F)CC(C)S1
InChIInChI=1S/C11H14ClFN2S/c1-7-5-15(6-8(2)16-7)11-10(13)3-9(12)4-14-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyCKQUGLUCJHBBDM-UHFFFAOYSA-N
MW260.76 g/mol
LogP3.20
Rot. Bonds1

About 4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine

4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine (PubChem CID 79728718) has the molecular formula C11H14ClFN2S and a molecular weight of 260.76 g/mol. Its IUPAC name is 4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine
PubChem CID79728718
Molecular FormulaC11H14ClFN2S
Molecular Weight260.76 g/mol
Exact Mass260.06
IUPAC Name4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine
SMILESCC1CN(c2ncc(Cl)cc2F)CC(C)S1
InChIInChI=1S/C11H14ClFN2S/c1-7-5-15(6-8(2)16-7)11-10(13)3-9(12)4-14-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyCKQUGLUCJHBBDM-UHFFFAOYSA-N
XLogP3.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine?
The IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine (CID 79728718) is 4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine is CC1CN(c2ncc(Cl)cc2F)CC(C)S1.
What is the InChIKey of 4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine?
The InChIKey is CKQUGLUCJHBBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2S/c1-7-5-15(6-8(2)16-7)11-10(13)3-9(12)4-14-11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine?
4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine has a molecular weight of 260.76 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylthiomorpholine is sourced from PubChem (CID 79728718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).