6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine

C9H14BrNO2 — CID 70278638

IUPAC6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine
SMILESCOCCOC1=CC=C(Br)NC1C
InChIInChI=1S/C9H14BrNO2/c1-7-8(13-6-5-12-2)3-4-9(10)11-7/h3-4,7,11H,5-6H2,1-2H3
InChIKeyGLCRDVDJXRLDHA-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.76
Rot. Bonds4

About 6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine

6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine (PubChem CID 70278638) has the molecular formula C9H14BrNO2 and a molecular weight of 248.12 g/mol. Its IUPAC name is 6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine
PubChem CID70278638
Molecular FormulaC9H14BrNO2
Molecular Weight248.12 g/mol
Exact Mass247.02
IUPAC Name6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine
SMILESCOCCOC1=CC=C(Br)NC1C
InChIInChI=1S/C9H14BrNO2/c1-7-8(13-6-5-12-2)3-4-9(10)11-7/h3-4,7,11H,5-6H2,1-2H3
InChIKeyGLCRDVDJXRLDHA-UHFFFAOYSA-N
XLogP1.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine?
The IUPAC name of 6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine (CID 70278638) is 6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine.
What is the SMILES notation for 6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine?
The canonical SMILES for 6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine is COCCOC1=CC=C(Br)NC1C.
What is the InChIKey of 6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine?
The InChIKey is GLCRDVDJXRLDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2/c1-7-8(13-6-5-12-2)3-4-9(10)11-7/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine?
6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine has a molecular weight of 248.12 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-methoxyethoxy)-2-methyl-1,2-dihydropyridine is sourced from PubChem (CID 70278638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).