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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Related Compounds

4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936655
2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine
CID 102936812
[4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol
CID 115681312
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898383
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 102936816
1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 115741486
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
N-[[6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]methyl]ethanamine
CID 104961014
5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
CID 164659359
3-[(5-bromo-2-pyridinyl)methyl]-6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 172901842
5-bromo-2-(bromomethyl)pyridine;1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 158558565

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).