methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate

C10H8N2O4 — CID 54729994

IUPACmethyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1c(O)c2ncccc2[nH]c1=O
InChIInChI=1S/C10H8N2O4/c1-16-10(15)6-8(13)7-5(12-9(6)14)3-2-4-11-7/h2-4H,1H3,(H2,12,13,14)
InChIKeyHPMKRDSMDYYKIY-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.42
Rot. Bonds1

About methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate

methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate (PubChem CID 54729994) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate
PubChem CID54729994
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Namemethyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1c(O)c2ncccc2[nH]c1=O
InChIInChI=1S/C10H8N2O4/c1-16-10(15)6-8(13)7-5(12-9(6)14)3-2-4-11-7/h2-4H,1H3,(H2,12,13,14)
InChIKeyHPMKRDSMDYYKIY-UHFFFAOYSA-N
XLogP0.42
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate (CID 54729994) is methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate is COC(=O)c1c(O)c2ncccc2[nH]c1=O.
What is the InChIKey of methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
The InChIKey is HPMKRDSMDYYKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-16-10(15)6-8(13)7-5(12-9(6)14)3-2-4-11-7/h2-4H,1H3,(H2,12,13,14).
What are the key properties of methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate has a molecular weight of 220.18 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 54729994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).