2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine

C12H16Br2N2O — CID 102936799

IUPAC2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine
SMILESCC1CN(Cc2ccc(Br)cn2)CC(CBr)O1
InChIInChI=1S/C12H16Br2N2O/c1-9-6-16(8-12(4-13)17-9)7-11-3-2-10(14)5-15-11/h2-3,5,9,12H,4,6-8H2,1H3
InChIKeyZVSKREIGQBBIEW-UHFFFAOYSA-N
MW364.08 g/mol
LogP2.83
Rot. Bonds3

About 2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine

2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine (PubChem CID 102936799) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine
PubChem CID102936799
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine
SMILESCC1CN(Cc2ccc(Br)cn2)CC(CBr)O1
InChIInChI=1S/C12H16Br2N2O/c1-9-6-16(8-12(4-13)17-9)7-11-3-2-10(14)5-15-11/h2-3,5,9,12H,4,6-8H2,1H3
InChIKeyZVSKREIGQBBIEW-UHFFFAOYSA-N
XLogP2.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine (CID 102936799) is 2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine is CC1CN(Cc2ccc(Br)cn2)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine?
The InChIKey is ZVSKREIGQBBIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-9-6-16(8-12(4-13)17-9)7-11-3-2-10(14)5-15-11/h2-3,5,9,12H,4,6-8H2,1H3.
What are the key properties of 2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine?
2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine has a molecular weight of 364.08 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine is sourced from PubChem (CID 102936799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).