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

C11H14BrClN2S — CID 114837132

IUPAC4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine
SMILESCC1CN(c2ncc(Cl)cc2Br)CC(C)S1
InChIInChI=1S/C11H14BrClN2S/c1-7-5-15(6-8(2)16-7)11-10(12)3-9(13)4-14-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUXCDBUSVQRHOPU-UHFFFAOYSA-N
MW321.67 g/mol
LogP3.83
Rot. Bonds1

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

4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine (PubChem CID 114837132) has the molecular formula C11H14BrClN2S and a molecular weight of 321.67 g/mol. Its IUPAC name is 4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine
PubChem CID114837132
Molecular FormulaC11H14BrClN2S
Molecular Weight321.67 g/mol
Exact Mass319.97
IUPAC Name4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine
SMILESCC1CN(c2ncc(Cl)cc2Br)CC(C)S1
InChIInChI=1S/C11H14BrClN2S/c1-7-5-15(6-8(2)16-7)11-10(12)3-9(13)4-14-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUXCDBUSVQRHOPU-UHFFFAOYSA-N
XLogP3.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.67
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 105367957
1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine
CID 114836322
1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 114836358
(3aS,6aR)-5-(3-bromo-5-chloro-2-pyridinyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 128564387
1-[1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-yl]piperazine
CID 114836339
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylpiperazine
CID 114836752
2-(3-bromo-5-chloro-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 114836392
4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione
CID 114837207
3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine
CID 114837131
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylazepane
CID 114837143
3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine
CID 114838653
1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 114836681

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine?
The IUPAC name of 4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine (CID 114837132) is 4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine is CC1CN(c2ncc(Cl)cc2Br)CC(C)S1.
What is the InChIKey of 4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine?
The InChIKey is UXCDBUSVQRHOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2S/c1-7-5-15(6-8(2)16-7)11-10(12)3-9(13)4-14-11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine?
4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine has a molecular weight of 321.67 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine is sourced from PubChem (CID 114837132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).