4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine

C11H14BrFN2S — CID 104924680

IUPAC4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine
SMILESCC1(C)CN(c2ncc(Br)cc2F)CCS1
InChIInChI=1S/C11H14BrFN2S/c1-11(2)7-15(3-4-16-11)10-9(13)5-8(12)6-14-10/h5-6H,3-4,7H2,1-2H3
InChIKeyBIVALSJSVRQYIE-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.32
Rot. Bonds1

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

4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine (PubChem CID 104924680) has the molecular formula C11H14BrFN2S and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine
PubChem CID104924680
Molecular FormulaC11H14BrFN2S
Molecular Weight305.22 g/mol
Exact Mass304.00
IUPAC Name4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine
SMILESCC1(C)CN(c2ncc(Br)cc2F)CCS1
InChIInChI=1S/C11H14BrFN2S/c1-11(2)7-15(3-4-16-11)10-9(13)5-8(12)6-14-10/h5-6H,3-4,7H2,1-2H3
InChIKeyBIVALSJSVRQYIE-UHFFFAOYSA-N
XLogP3.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
CID 104924643
4-(3-bromo-5-methyl-2-pyridinyl)-2,2-dimethylthiomorpholine
CID 105368103
6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine
CID 114074734
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
4-(5-bromopyrimidin-2-yl)-7,7-dimethyl-1,4-thiazepane
CID 107269428
1-(5-bromo-3-fluoro-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561906
4-[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 166601581
5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342
5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 104924733
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
CID 104918893
4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one
CID 104918758

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine?
The IUPAC name of 4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine (CID 104924680) is 4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine.
What is the SMILES notation for 4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine?
The canonical SMILES for 4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine is CC1(C)CN(c2ncc(Br)cc2F)CCS1.
What is the InChIKey of 4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine?
The InChIKey is BIVALSJSVRQYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2S/c1-11(2)7-15(3-4-16-11)10-9(13)5-8(12)6-14-10/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine?
4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine has a molecular weight of 305.22 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-fluoro-2-pyridinyl)-2,2-dimethylthiomorpholine is sourced from PubChem (CID 104924680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).