2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate

C10H12BrNO3 — CID 59544536

IUPAC2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate
SMILESCC(=O)OCCOc1ccc(Br)c(C)n1
InChIInChI=1S/C10H12BrNO3/c1-7-9(11)3-4-10(12-7)15-6-5-14-8(2)13/h3-4H,5-6H2,1-2H3
InChIKeyMDQSDAYSELZVLZ-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.09
Rot. Bonds4

About 2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate

2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate (PubChem CID 59544536) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate.

Molecular Properties

Compound Name2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate
PubChem CID59544536
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate
SMILESCC(=O)OCCOc1ccc(Br)c(C)n1
InChIInChI=1S/C10H12BrNO3/c1-7-9(11)3-4-10(12-7)15-6-5-14-8(2)13/h3-4H,5-6H2,1-2H3
InChIKeyMDQSDAYSELZVLZ-UHFFFAOYSA-N
XLogP2.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate?
The IUPAC name of 2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate (CID 59544536) is 2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate.
What is the SMILES notation for 2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate?
The canonical SMILES for 2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate is CC(=O)OCCOc1ccc(Br)c(C)n1.
What is the InChIKey of 2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate?
The InChIKey is MDQSDAYSELZVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-7-9(11)3-4-10(12-7)15-6-5-14-8(2)13/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate?
2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate has a molecular weight of 274.11 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate is sourced from PubChem (CID 59544536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).