ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate

C11H10N2O4 — CID 54696338

IUPACethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)c2ncccc2c1O
InChIInChI=1S/C11H10N2O4/c1-2-17-11(16)8-9(14)6-4-3-5-12-7(6)10(15)13-8/h3-5,14H,2H2,1H3,(H,13,15)
InChIKeyPGBCWLBDZWMNQP-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.81
Rot. Bonds2

About ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate

ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate (PubChem CID 54696338) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate
PubChem CID54696338
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Nameethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)c2ncccc2c1O
InChIInChI=1S/C11H10N2O4/c1-2-17-11(16)8-9(14)6-4-3-5-12-7(6)10(15)13-8/h3-5,14H,2H2,1H3,(H,13,15)
InChIKeyPGBCWLBDZWMNQP-UHFFFAOYSA-N
XLogP0.81
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate?
The IUPAC name of ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate (CID 54696338) is ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate is CCOC(=O)c1[nH]c(=O)c2ncccc2c1O.
What is the InChIKey of ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate?
The InChIKey is PGBCWLBDZWMNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-17-11(16)8-9(14)6-4-3-5-12-7(6)10(15)13-8/h3-5,14H,2H2,1H3,(H,13,15).
What are the key properties of ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate?
ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate has a molecular weight of 234.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 54696338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).