2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine

C11H15BrN2O — CID 81211136

IUPAC2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine
SMILESCc1cnccc1N1CCOC(CBr)C1
InChIInChI=1S/C11H15BrN2O/c1-9-7-13-3-2-11(9)14-4-5-15-10(6-12)8-14/h2-3,7,10H,4-6,8H2,1H3
InChIKeyXLSFVVBOJQEYFL-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.99
Rot. Bonds2

About 2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine

2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine (PubChem CID 81211136) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine
PubChem CID81211136
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine
SMILESCc1cnccc1N1CCOC(CBr)C1
InChIInChI=1S/C11H15BrN2O/c1-9-7-13-3-2-11(9)14-4-5-15-10(6-12)8-14/h2-3,7,10H,4-6,8H2,1H3
InChIKeyXLSFVVBOJQEYFL-UHFFFAOYSA-N
XLogP1.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.99
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

2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine
CID 81209519
2-(bromomethyl)-4-(4-methyl-2-pyridinyl)morpholine
CID 81211013
2-[[4-(3-bromo-4-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965260
2-(bromomethyl)-4-(3,6-dimethylpyrazin-2-yl)morpholine
CID 81210895
N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 81246777
(3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol
CID 104892823
[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine
CID 114399426
2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine
CID 81210294
2-(bromomethyl)-4-(5-chloro-2-pyridinyl)morpholine
CID 81210670
4-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
CID 133443384
2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine
CID 114787902
[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443645

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine (CID 81211136) is 2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine is Cc1cnccc1N1CCOC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine?
The InChIKey is XLSFVVBOJQEYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-9-7-13-3-2-11(9)14-4-5-15-10(6-12)8-14/h2-3,7,10H,4-6,8H2,1H3.
What are the key properties of 2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine?
2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine has a molecular weight of 271.16 g/mol, XLogP of 1.99, 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-methyl-4-pyridinyl)morpholine is sourced from PubChem (CID 81211136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).