methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate

C8H8Br2N2O3 — CID 172560477

IUPACmethyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate
SMILESCOC(=O)COc1cc(Br)nc(Br)c1N
InChIInChI=1S/C8H8Br2N2O3/c1-14-6(13)3-15-4-2-5(9)12-8(10)7(4)11/h2H,3,11H2,1H3
InChIKeyDCPLHLDHMHQZRJ-UHFFFAOYSA-N
MW339.97 g/mol
LogP1.74
Rot. Bonds3

About methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate

methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate (PubChem CID 172560477) has the molecular formula C8H8Br2N2O3 and a molecular weight of 339.97 g/mol. Its IUPAC name is methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate
PubChem CID172560477
Molecular FormulaC8H8Br2N2O3
Molecular Weight339.97 g/mol
Exact Mass337.89
IUPAC Namemethyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate
SMILESCOC(=O)COc1cc(Br)nc(Br)c1N
InChIInChI=1S/C8H8Br2N2O3/c1-14-6(13)3-15-4-2-5(9)12-8(10)7(4)11/h2H,3,11H2,1H3
InChIKeyDCPLHLDHMHQZRJ-UHFFFAOYSA-N
XLogP1.74
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.97
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate?
The IUPAC name of methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate (CID 172560477) is methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate.
What is the SMILES notation for methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate?
The canonical SMILES for methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate is COC(=O)COc1cc(Br)nc(Br)c1N.
What is the InChIKey of methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate?
The InChIKey is DCPLHLDHMHQZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2O3/c1-14-6(13)3-15-4-2-5(9)12-8(10)7(4)11/h2H,3,11H2,1H3.
What are the key properties of methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate?
methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate has a molecular weight of 339.97 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-2,6-dibromo-4-pyridinyl)oxy]acetate is sourced from PubChem (CID 172560477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).