ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate

C13H8ClFN4O3S — CID 15229391

IUPACethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ncns2)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C13H8ClFN4O3S/c1-2-22-12(21)7-4-19(13-16-5-17-23-13)11-6(9(7)20)3-8(15)10(14)18-11/h3-5H,2H2,1H3
InChIKeyMWYJAGHZOILBEZ-UHFFFAOYSA-N
MW354.75 g/mol
LogP2.21
Rot. Bonds3

About ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate

ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate (PubChem CID 15229391) has the molecular formula C13H8ClFN4O3S and a molecular weight of 354.75 g/mol. Its IUPAC name is ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate
PubChem CID15229391
Molecular FormulaC13H8ClFN4O3S
Molecular Weight354.75 g/mol
Exact Mass354.00
IUPAC Nameethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ncns2)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C13H8ClFN4O3S/c1-2-22-12(21)7-4-19(13-16-5-17-23-13)11-6(9(7)20)3-8(15)10(14)18-11/h3-5H,2H2,1H3
InChIKeyMWYJAGHZOILBEZ-UHFFFAOYSA-N
XLogP2.21
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-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 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate (CID 15229391) is ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2ncns2)c2nc(Cl)c(F)cc2c1=O.
What is the InChIKey of ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is MWYJAGHZOILBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4O3S/c1-2-22-12(21)7-4-19(13-16-5-17-23-13)11-6(9(7)20)3-8(15)10(14)18-11/h3-5H,2H2,1H3.
What are the key properties of ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate?
ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 354.75 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 15229391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).