4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine

C11H15BrN2O — CID 56786355

IUPAC4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine
SMILESCC1CN(c2cncc(Br)c2)CC(C)O1
InChIInChI=1S/C11H15BrN2O/c1-8-6-14(7-9(2)15-8)11-3-10(12)4-13-5-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeySUVJXBXERUDGAI-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.46
Rot. Bonds1

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

4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine (PubChem CID 56786355) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine
PubChem CID56786355
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine
SMILESCC1CN(c2cncc(Br)c2)CC(C)O1
InChIInChI=1S/C11H15BrN2O/c1-8-6-14(7-9(2)15-8)11-3-10(12)4-13-5-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeySUVJXBXERUDGAI-UHFFFAOYSA-N
XLogP2.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine (CID 56786355) is 4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine is CC1CN(c2cncc(Br)c2)CC(C)O1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine?
The InChIKey is SUVJXBXERUDGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-6-14(7-9(2)15-8)11-3-10(12)4-13-5-11/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine?
4-(5-bromo-3-pyridinyl)-2,6-dimethylmorpholine has a molecular weight of 271.16 g/mol, XLogP of 2.46, 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-pyridinyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 56786355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).