methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate

C10H9N3O4 — CID 132990893

IUPACmethyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1c(N)c2cccnc2n(O)c1=O
InChIInChI=1S/C10H9N3O4/c1-17-10(15)6-7(11)5-3-2-4-12-8(5)13(16)9(6)14/h2-4,16H,11H2,1H3
InChIKeyDNQZHISFLXUWFF-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.00
Rot. Bonds1

About methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate

methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 132990893) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID132990893
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Namemethyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1c(N)c2cccnc2n(O)c1=O
InChIInChI=1S/C10H9N3O4/c1-17-10(15)6-7(11)5-3-2-4-12-8(5)13(16)9(6)14/h2-4,16H,11H2,1H3
InChIKeyDNQZHISFLXUWFF-UHFFFAOYSA-N
XLogP0.00
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate (CID 132990893) is methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate is COC(=O)c1c(N)c2cccnc2n(O)c1=O.
What is the InChIKey of methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is DNQZHISFLXUWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-17-10(15)6-7(11)5-3-2-4-12-8(5)13(16)9(6)14/h2-4,16H,11H2,1H3.
What are the key properties of methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 235.20 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 132990893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).