2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine

C12H16Br2N2O — CID 102937171

IUPAC2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
SMILESCc1cnc(N2CC(C)OC(CBr)C2)c(Br)c1
InChIInChI=1S/C12H16Br2N2O/c1-8-3-11(14)12(15-5-8)16-6-9(2)17-10(4-13)7-16/h3,5,9-10H,4,6-7H2,1-2H3
InChIKeyMENCJUBYJBXLSM-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.14
Rot. Bonds2

About 2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine

2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine (PubChem CID 102937171) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
PubChem CID102937171
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
SMILESCc1cnc(N2CC(C)OC(CBr)C2)c(Br)c1
InChIInChI=1S/C12H16Br2N2O/c1-8-3-11(14)12(15-5-8)16-6-9(2)17-10(4-13)7-16/h3,5,9-10H,4,6-7H2,1-2H3
InChIKeyMENCJUBYJBXLSM-UHFFFAOYSA-N
XLogP3.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-bromo-3-chloro-2-pyridinyl)-2-(bromomethyl)-6-methylmorpholine
CID 103584210
2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine
CID 102937224
3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
CID 105367629
4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 105367904
4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
CID 105368114
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 105367957
2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine
CID 102937213
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532
1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131165420
2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine
CID 102937255
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
CID 103584209

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine (CID 102937171) is 2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine is Cc1cnc(N2CC(C)OC(CBr)C2)c(Br)c1.
What is the InChIKey of 2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine?
The InChIKey is MENCJUBYJBXLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-8-3-11(14)12(15-5-8)16-6-9(2)17-10(4-13)7-16/h3,5,9-10H,4,6-7H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine?
2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine has a molecular weight of 364.08 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine is sourced from PubChem (CID 102937171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).