4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine

C11H13BrCl2N2O — CID 103584209

IUPAC4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
SMILESCC1CN(c2ncc(Br)cc2Cl)CC(CCl)O1
InChIInChI=1S/C11H13BrCl2N2O/c1-7-5-16(6-9(3-13)17-7)11-10(14)2-8(12)4-15-11/h2,4,7,9H,3,5-6H2,1H3
InChIKeyMWWXYKCOBRHPCC-UHFFFAOYSA-N
MW340.05 g/mol
LogP3.33
Rot. Bonds2

About 4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine

4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine (PubChem CID 103584209) has the molecular formula C11H13BrCl2N2O and a molecular weight of 340.05 g/mol. Its IUPAC name is 4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine.

Molecular Properties

Compound Name4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
PubChem CID103584209
Molecular FormulaC11H13BrCl2N2O
Molecular Weight340.05 g/mol
Exact Mass337.96
IUPAC Name4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
SMILESCC1CN(c2ncc(Br)cc2Cl)CC(CCl)O1
InChIInChI=1S/C11H13BrCl2N2O/c1-7-5-16(6-9(3-13)17-7)11-10(14)2-8(12)4-15-11/h2,4,7,9H,3,5-6H2,1H3
InChIKeyMWWXYKCOBRHPCC-UHFFFAOYSA-N
XLogP3.33
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.05
LogP ≤ 53.33
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-(5-bromo-3-chloro-2-pyridinyl)-6-methylmorpholin-2-yl]methanamine
CID 103584271
4-(5-bromo-3-chloro-2-pyridinyl)-2-(bromomethyl)-6-methylmorpholine
CID 103584210
2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine
CID 102937213
4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine
CID 102937046
[1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine
CID 103584239
[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 104960830
1-(5-bromo-3-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 103582851
2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
CID 102937171
2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 102937075
4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine
CID 81210904
4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 103583164
N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62284579

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine?
The IUPAC name of 4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine (CID 103584209) is 4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine.
What is the SMILES notation for 4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine?
The canonical SMILES for 4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine is CC1CN(c2ncc(Br)cc2Cl)CC(CCl)O1.
What is the InChIKey of 4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine?
The InChIKey is MWWXYKCOBRHPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O/c1-7-5-16(6-9(3-13)17-7)11-10(14)2-8(12)4-15-11/h2,4,7,9H,3,5-6H2,1H3.
What are the key properties of 4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine?
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine has a molecular weight of 340.05 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine is sourced from PubChem (CID 103584209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).