dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate

C12H10N2O5 — CID 58929029

IUPACdimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
SMILESCOC(=O)c1[nH]c2cccnc2c(=O)c1C(=O)OC
InChIInChI=1S/C12H10N2O5/c1-18-11(16)7-9(12(17)19-2)14-6-4-3-5-13-8(6)10(7)15/h3-5H,1-2H3,(H,14,15)
InChIKeyXAAVXSYTGYXIMA-UHFFFAOYSA-N
MW262.22 g/mol
LogP0.50
Rot. Bonds2

About dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate

dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate (PubChem CID 58929029) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
PubChem CID58929029
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Namedimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
SMILESCOC(=O)c1[nH]c2cccnc2c(=O)c1C(=O)OC
InChIInChI=1S/C12H10N2O5/c1-18-11(16)7-9(12(17)19-2)14-6-4-3-5-13-8(6)10(7)15/h3-5H,1-2H3,(H,14,15)
InChIKeyXAAVXSYTGYXIMA-UHFFFAOYSA-N
XLogP0.50
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate (CID 58929029) is dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate is COC(=O)c1[nH]c2cccnc2c(=O)c1C(=O)OC.
What is the InChIKey of dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate?
The InChIKey is XAAVXSYTGYXIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-18-11(16)7-9(12(17)19-2)14-6-4-3-5-13-8(6)10(7)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate?
dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate has a molecular weight of 262.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate is sourced from PubChem (CID 58929029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).