ethyl 2,5-dibromopyridine-3-carboxylate

C8H7Br2NO2 — CID 46311328

IUPACethyl 2,5-dibromopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Br)cnc1Br
InChIInChI=1S/C8H7Br2NO2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3
InChIKeyNMPIHOQTXGSWRI-UHFFFAOYSA-N
MW308.96 g/mol
LogP2.78
Rot. Bonds2

About ethyl 2,5-dibromopyridine-3-carboxylate

ethyl 2,5-dibromopyridine-3-carboxylate (PubChem CID 46311328) has the molecular formula C8H7Br2NO2 and a molecular weight of 308.96 g/mol. Its IUPAC name is ethyl 2,5-dibromopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dibromopyridine-3-carboxylate
PubChem CID46311328
Molecular FormulaC8H7Br2NO2
Molecular Weight308.96 g/mol
Exact Mass306.88
IUPAC Nameethyl 2,5-dibromopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Br)cnc1Br
InChIInChI=1S/C8H7Br2NO2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3
InChIKeyNMPIHOQTXGSWRI-UHFFFAOYSA-N
XLogP2.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.96
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2,5-dibromopyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-bromo-5-(tribromomethyl)pyridine-3-carboxylate
CID 12919744
ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate
CID 59353668
ethyl 5-bromo-3-iodopyridine-2-carboxylate
CID 133062271
ethyl 2,3,5-tribromobenzoate
CID 112694304
ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate
CID 67959264
diethyl 3,5-dibromobenzene-1,2-dicarboxylate
CID 139811983
ethyl 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 153403522
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 2,5-dibromo-3-chlorobenzoate
CID 114374037
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 5-bromo-2-(1-bromoethyl)benzoate
CID 174594973

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dibromopyridine-3-carboxylate?
The IUPAC name of ethyl 2,5-dibromopyridine-3-carboxylate (CID 46311328) is ethyl 2,5-dibromopyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dibromopyridine-3-carboxylate?
The canonical SMILES for ethyl 2,5-dibromopyridine-3-carboxylate is CCOC(=O)c1cc(Br)cnc1Br.
What is the InChIKey of ethyl 2,5-dibromopyridine-3-carboxylate?
The InChIKey is NMPIHOQTXGSWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2NO2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3.
What are the key properties of ethyl 2,5-dibromopyridine-3-carboxylate?
ethyl 2,5-dibromopyridine-3-carboxylate has a molecular weight of 308.96 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dibromopyridine-3-carboxylate is sourced from PubChem (CID 46311328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).