ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate

C11H8ClFN2O4 — CID 167020392

IUPACethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2c(F)cnc(Cl)c2[nH]c1=O
InChIInChI=1S/C11H8ClFN2O4/c1-2-19-11(18)6-8(16)5-4(13)3-14-9(12)7(5)15-10(6)17/h3H,2H2,1H3,(H2,15,16,17)
InChIKeyJXSBPDDZNCKGTB-UHFFFAOYSA-N
MW286.65 g/mol
LogP1.60
Rot. Bonds2

About ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate

ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate (PubChem CID 167020392) has the molecular formula C11H8ClFN2O4 and a molecular weight of 286.65 g/mol. Its IUPAC name is ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate
PubChem CID167020392
Molecular FormulaC11H8ClFN2O4
Molecular Weight286.65 g/mol
Exact Mass286.02
IUPAC Nameethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2c(F)cnc(Cl)c2[nH]c1=O
InChIInChI=1S/C11H8ClFN2O4/c1-2-19-11(18)6-8(16)5-4(13)3-14-9(12)7(5)15-10(6)17/h3H,2H2,1H3,(H2,15,16,17)
InChIKeyJXSBPDDZNCKGTB-UHFFFAOYSA-N
XLogP1.60
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.65
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-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

Related Compounds

ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134672013
ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 54684680
ethyl 7-bromo-6-chloro-8-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate;ethyl 7-bromo-2,4,6-trichloro-8-fluoroquinoline-3-carboxylate
CID 175846313
ethyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
CID 54686579
ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 54694602
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 4-(difluoromethyl)-2,5-difluoropyridine-3-carboxylate
CID 134661746
ethyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate;molecular hydrogen
CID 144616781
ethyl 6-chloro-3-fluoroquinoline-4-carboxylate
CID 164533136
ethyl 3,5-difluoro-1H-pyrrole-2-carboxylate
CID 141419828
ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 59699624
ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 54734835

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate (CID 167020392) is ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2c(F)cnc(Cl)c2[nH]c1=O.
What is the InChIKey of ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate?
The InChIKey is JXSBPDDZNCKGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O4/c1-2-19-11(18)6-8(16)5-4(13)3-14-9(12)7(5)15-10(6)17/h3H,2H2,1H3,(H2,15,16,17).
What are the key properties of ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate?
ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate has a molecular weight of 286.65 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 167020392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).