ethyl 5-bromo-3-chloropyridine-2-carboxylate

C8H7BrClNO2 — CID 46311457

IUPACethyl 5-bromo-3-chloropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C8H7BrClNO2/c1-2-13-8(12)7-6(10)3-5(9)4-11-7/h3-4H,2H2,1H3
InChIKeyGUOWFNPAPZZOEE-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.67
Rot. Bonds2

About ethyl 5-bromo-3-chloropyridine-2-carboxylate

ethyl 5-bromo-3-chloropyridine-2-carboxylate (PubChem CID 46311457) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is ethyl 5-bromo-3-chloropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-3-chloropyridine-2-carboxylate
PubChem CID46311457
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Nameethyl 5-bromo-3-chloropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C8H7BrClNO2/c1-2-13-8(12)7-6(10)3-5(9)4-11-7/h3-4H,2H2,1H3
InChIKeyGUOWFNPAPZZOEE-UHFFFAOYSA-N
XLogP2.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 5-bromo-3-chloropyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-3-chloropyridine-2-carboxylate?
The IUPAC name of ethyl 5-bromo-3-chloropyridine-2-carboxylate (CID 46311457) is ethyl 5-bromo-3-chloropyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-bromo-3-chloropyridine-2-carboxylate?
The canonical SMILES for ethyl 5-bromo-3-chloropyridine-2-carboxylate is CCOC(=O)c1ncc(Br)cc1Cl.
What is the InChIKey of ethyl 5-bromo-3-chloropyridine-2-carboxylate?
The InChIKey is GUOWFNPAPZZOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c1-2-13-8(12)7-6(10)3-5(9)4-11-7/h3-4H,2H2,1H3.
What are the key properties of ethyl 5-bromo-3-chloropyridine-2-carboxylate?
ethyl 5-bromo-3-chloropyridine-2-carboxylate has a molecular weight of 264.51 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-3-chloropyridine-2-carboxylate is sourced from PubChem (CID 46311457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).