ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate

C14H10BrClFNO2 — CID 59377665

IUPACethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(Br)cc2F)cc1Cl
InChIInChI=1S/C14H10BrClFNO2/c1-2-20-14(19)10-7-18-13(6-11(10)16)9-4-3-8(15)5-12(9)17/h3-7H,2H2,1H3
InChIKeyZAXPFOJJXHMRSF-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.48
Rot. Bonds3

About ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate

ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate (PubChem CID 59377665) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate
PubChem CID59377665
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Nameethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(Br)cc2F)cc1Cl
InChIInChI=1S/C14H10BrClFNO2/c1-2-20-14(19)10-7-18-13(6-11(10)16)9-4-3-8(15)5-12(9)17/h3-7H,2H2,1H3
InChIKeyZAXPFOJJXHMRSF-UHFFFAOYSA-N
XLogP4.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate (CID 59377665) is ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate is CCOC(=O)c1cnc(-c2ccc(Br)cc2F)cc1Cl.
What is the InChIKey of ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate?
The InChIKey is ZAXPFOJJXHMRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c1-2-20-14(19)10-7-18-13(6-11(10)16)9-4-3-8(15)5-12(9)17/h3-7H,2H2,1H3.
What are the key properties of ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate?
ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate has a molecular weight of 358.59 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-bromo-2-fluorophenyl)-4-chloropyridine-3-carboxylate is sourced from PubChem (CID 59377665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).