ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate

C9H10Br2N2O2 — CID 167740848

IUPACethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1ccc(Br)c(Br)n1
InChIInChI=1S/C9H10Br2N2O2/c1-2-15-8(14)5-12-7-4-3-6(10)9(11)13-7/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyYOZZENZSRUZSOI-UHFFFAOYSA-N
MW338.00 g/mol
LogP2.58
Rot. Bonds4

About ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate

ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate (PubChem CID 167740848) has the molecular formula C9H10Br2N2O2 and a molecular weight of 338.00 g/mol. Its IUPAC name is ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate
PubChem CID167740848
Molecular FormulaC9H10Br2N2O2
Molecular Weight338.00 g/mol
Exact Mass335.91
IUPAC Nameethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1ccc(Br)c(Br)n1
InChIInChI=1S/C9H10Br2N2O2/c1-2-15-8(14)5-12-7-4-3-6(10)9(11)13-7/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyYOZZENZSRUZSOI-UHFFFAOYSA-N
XLogP2.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
CID 62342073
ethyl 2-(2,5-dibromoanilino)acetate
CID 61467112
ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate
CID 80789885
ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate
CID 79778560
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524
ethyl 2-bromo-6-[(2-ethoxy-2-oxoethyl)amino]benzoate
CID 10592499
ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067
ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80960937
ethyl 2-(2-bromo-4-carbamothioylanilino)acetate
CID 82805016
methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate
CID 43261097
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275
ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate
CID 171029890

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate?
The IUPAC name of ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate (CID 167740848) is ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate is CCOC(=O)CNc1ccc(Br)c(Br)n1.
What is the InChIKey of ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate?
The InChIKey is YOZZENZSRUZSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O2/c1-2-15-8(14)5-12-7-4-3-6(10)9(11)13-7/h3-4H,2,5H2,1H3,(H,12,13).
What are the key properties of ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate?
ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate has a molecular weight of 338.00 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate is sourced from PubChem (CID 167740848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).