ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate

C10H11BrN2O3 — CID 83170551

IUPACethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ncc(Br)cc1C
InChIInChI=1S/C10H11BrN2O3/c1-3-16-10(15)9(14)13-8-6(2)4-7(11)5-12-8/h4-5H,3H2,1-2H3,(H,12,13,14)
InChIKeyVLXZKRUPIHDYLI-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.65
Rot. Bonds2

About ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate

ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate (PubChem CID 83170551) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
PubChem CID83170551
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Nameethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ncc(Br)cc1C
InChIInChI=1S/C10H11BrN2O3/c1-3-16-10(15)9(14)13-8-6(2)4-7(11)5-12-8/h4-5H,3H2,1-2H3,(H,12,13,14)
InChIKeyVLXZKRUPIHDYLI-UHFFFAOYSA-N
XLogP1.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate (CID 83170551) is ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1ncc(Br)cc1C.
What is the InChIKey of ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate?
The InChIKey is VLXZKRUPIHDYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-3-16-10(15)9(14)13-8-6(2)4-7(11)5-12-8/h4-5H,3H2,1-2H3,(H,12,13,14).
What are the key properties of ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate?
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate has a molecular weight of 287.11 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate is sourced from PubChem (CID 83170551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).