ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate

C11H8ClFN2O3 — CID 57282029

IUPACethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate
SMILESCCOC(=O)n1ccc(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C11H8ClFN2O3/c1-2-18-11(17)15-4-3-8(16)6-5-7(13)9(12)14-10(6)15/h3-5H,2H2,1H3
InChIKeyYLFRBDJFZGCBOV-UHFFFAOYSA-N
MW270.65 g/mol
LogP2.19
Rot. Bonds1

About ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate

ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate (PubChem CID 57282029) has the molecular formula C11H8ClFN2O3 and a molecular weight of 270.65 g/mol. Its IUPAC name is ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate
PubChem CID57282029
Molecular FormulaC11H8ClFN2O3
Molecular Weight270.65 g/mol
Exact Mass270.02
IUPAC Nameethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate
SMILESCCOC(=O)n1ccc(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C11H8ClFN2O3/c1-2-18-11(17)15-4-3-8(16)6-5-7(13)9(12)14-10(6)15/h3-5H,2H2,1H3
InChIKeyYLFRBDJFZGCBOV-UHFFFAOYSA-N
XLogP2.19
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate?
The IUPAC name of ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate (CID 57282029) is ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate is CCOC(=O)n1ccc(=O)c2cc(F)c(Cl)nc21.
What is the InChIKey of ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate?
The InChIKey is YLFRBDJFZGCBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3/c1-2-18-11(17)15-4-3-8(16)6-5-7(13)9(12)14-10(6)15/h3-5H,2H2,1H3.
What are the key properties of ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate?
ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate has a molecular weight of 270.65 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 57282029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).