4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine

C13H19BrN2O — CID 107080311

IUPAC4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
SMILESCCC1CN(c2ncc(CBr)cc2C)CCO1
InChIInChI=1S/C13H19BrN2O/c1-3-12-9-16(4-5-17-12)13-10(2)6-11(7-14)8-15-13/h6,8,12H,3-5,7,9H2,1-2H3
InChIKeyHAJHMMBYBUWICR-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.90
Rot. Bonds3

About 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine

4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine (PubChem CID 107080311) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine.

Molecular Properties

Compound Name4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
PubChem CID107080311
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
SMILESCCC1CN(c2ncc(CBr)cc2C)CCO1
InChIInChI=1S/C13H19BrN2O/c1-3-12-9-16(4-5-17-12)13-10(2)6-11(7-14)8-15-13/h6,8,12H,3-5,7,9H2,1-2H3
InChIKeyHAJHMMBYBUWICR-UHFFFAOYSA-N
XLogP2.90
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.90
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-(chloromethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
CID 80628940
5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine
CID 107080495
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine
CID 107083540
5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
CID 107080841
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-1,4-oxazepane
CID 107082975
4-(5-bromo-3-fluoro-2-pyridinyl)-2-ethylmorpholine
CID 104918840
5-(bromomethyl)-3-methyl-2-(3-propylpyrrolidin-1-yl)pyridine
CID 107085109
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 107083279
4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine
CID 81210904
4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine
CID 80628844
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532
3-[5-(bromomethyl)-3-methyl-2-pyridinyl]-3-azabicyclo[3.3.1]nonane
CID 114196631

Frequently Asked Questions

What is the IUPAC name of 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine?
The IUPAC name of 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine (CID 107080311) is 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine.
What is the SMILES notation for 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine?
The canonical SMILES for 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine is CCC1CN(c2ncc(CBr)cc2C)CCO1.
What is the InChIKey of 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine?
The InChIKey is HAJHMMBYBUWICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-12-9-16(4-5-17-12)13-10(2)6-11(7-14)8-15-13/h6,8,12H,3-5,7,9H2,1-2H3.
What are the key properties of 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine?
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine has a molecular weight of 299.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine is sourced from PubChem (CID 107080311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).