ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate

C14H12ClFN2O3 — CID 11722954

IUPACethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C14H12ClFN2O3/c1-2-21-14(20)9-6-18(7-3-4-7)13-8(11(9)19)5-10(16)12(15)17-13/h5-7H,2-4H2,1H3
InChIKeyRWCZOVMOKFTUAD-UHFFFAOYSA-N
MW310.71 g/mol
LogP2.70
Rot. Bonds3

About ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 11722954) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID11722954
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Nameethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C14H12ClFN2O3/c1-2-21-14(20)9-6-18(7-3-4-7)13-8(11(9)19)5-10(16)12(15)17-13/h5-7H,2-4H2,1H3
InChIKeyRWCZOVMOKFTUAD-UHFFFAOYSA-N
XLogP2.70
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 52.70
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-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate (CID 11722954) is ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(C2CC2)c2nc(Cl)c(F)cc2c1=O.
What is the InChIKey of ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is RWCZOVMOKFTUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c1-2-21-14(20)9-6-18(7-3-4-7)13-8(11(9)19)5-10(16)12(15)17-13/h5-7H,2-4H2,1H3.
What are the key properties of ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 310.71 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 11722954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).