2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine

C11H15BrN2O2 — CID 79171247

IUPAC2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine
SMILESCN1CCOC(COc2cccnc2Br)C1
InChIInChI=1S/C11H15BrN2O2/c1-14-5-6-15-9(7-14)8-16-10-3-2-4-13-11(10)12/h2-4,9H,5-8H2,1H3
InChIKeyGEXKUQLSYZXCBL-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.55
Rot. Bonds3

About 2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine

2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine (PubChem CID 79171247) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine
PubChem CID79171247
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine
SMILESCN1CCOC(COc2cccnc2Br)C1
InChIInChI=1S/C11H15BrN2O2/c1-14-5-6-15-9(7-14)8-16-10-3-2-4-13-11(10)12/h2-4,9H,5-8H2,1H3
InChIKeyGEXKUQLSYZXCBL-UHFFFAOYSA-N
XLogP1.55
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine
CID 70907046
2-methyl-6-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79165775
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937
4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine
CID 21286345
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile
CID 155234769
3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79171337
N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 79171206
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
(1R)-1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79172537
N-ethyl-1-[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171207

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine?
The IUPAC name of 2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine (CID 79171247) is 2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine?
The canonical SMILES for 2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine is CN1CCOC(COc2cccnc2Br)C1.
What is the InChIKey of 2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine?
The InChIKey is GEXKUQLSYZXCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-14-5-6-15-9(7-14)8-16-10-3-2-4-13-11(10)12/h2-4,9H,5-8H2,1H3.
What are the key properties of 2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine?
2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine has a molecular weight of 287.16 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine is sourced from PubChem (CID 79171247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).