ethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate

C11H8ClFN2O2 — CID 59597487

IUPACethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)nc2c1Cl
InChIInChI=1S/C11H8ClFN2O2/c1-2-17-11(16)6-5-14-7-3-4-8(13)15-10(7)9(6)12/h3-5H,2H2,1H3
InChIKeyDBGPGTXEGGUYSF-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.60
Rot. Bonds2

About ethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate

ethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate (PubChem CID 59597487) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is ethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate
PubChem CID59597487
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Nameethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)nc2c1Cl
InChIInChI=1S/C11H8ClFN2O2/c1-2-17-11(16)6-5-14-7-3-4-8(13)15-10(7)9(6)12/h3-5H,2H2,1H3
InChIKeyDBGPGTXEGGUYSF-UHFFFAOYSA-N
XLogP2.60
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate (CID 59597487) is ethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(F)nc2c1Cl.
What is the InChIKey of ethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate?
The InChIKey is DBGPGTXEGGUYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-2-17-11(16)6-5-14-7-3-4-8(13)15-10(7)9(6)12/h3-5H,2H2,1H3.
What are the key properties of ethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate?
ethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate has a molecular weight of 254.65 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-fluoro-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 59597487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).