4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine

C11H15BrN2O — CID 104778190

IUPAC4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1ccncc1Br
InChIInChI=1S/C11H15BrN2O/c1-11(2)8-15-6-5-14(11)10-3-4-13-7-9(10)12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyXFVMGTPXQYWYRH-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.46
Rot. Bonds1

About 4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine

4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine (PubChem CID 104778190) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine
PubChem CID104778190
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1ccncc1Br
InChIInChI=1S/C11H15BrN2O/c1-11(2)8-15-6-5-14(11)10-3-4-13-7-9(10)12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyXFVMGTPXQYWYRH-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-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine?
The IUPAC name of 4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine (CID 104778190) is 4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine.
What is the SMILES notation for 4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine?
The canonical SMILES for 4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine is CC1(C)COCCN1c1ccncc1Br.
What is the InChIKey of 4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine?
The InChIKey is XFVMGTPXQYWYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-11(2)8-15-6-5-14(11)10-3-4-13-7-9(10)12/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine?
4-(3-bromo-4-pyridinyl)-3,3-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-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine is sourced from PubChem (CID 104778190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).