4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid

C10H10N2O6 — CID 90994706

IUPAC4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid
SMILESO=C(O)c1c(O)c2c([nH]c1=O)CN(C(=O)O)CC2
InChIInChI=1S/C10H10N2O6/c13-7-4-1-2-12(10(17)18)3-5(4)11-8(14)6(7)9(15)16/h1-3H2,(H,15,16)(H,17,18)(H2,11,13,14)
InChIKeyHYUXKJKJHRHFCL-UHFFFAOYSA-N
MW254.20 g/mol
LogP-0.19
Rot. Bonds1

About 4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid

4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid (PubChem CID 90994706) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid
PubChem CID90994706
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Name4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid
SMILESO=C(O)c1c(O)c2c([nH]c1=O)CN(C(=O)O)CC2
InChIInChI=1S/C10H10N2O6/c13-7-4-1-2-12(10(17)18)3-5(4)11-8(14)6(7)9(15)16/h1-3H2,(H,15,16)(H,17,18)(H2,11,13,14)
InChIKeyHYUXKJKJHRHFCL-UHFFFAOYSA-N
XLogP-0.19
TPSA130.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid?
The IUPAC name of 4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid (CID 90994706) is 4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid.
What is the SMILES notation for 4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid?
The canonical SMILES for 4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid is O=C(O)c1c(O)c2c([nH]c1=O)CN(C(=O)O)CC2.
What is the InChIKey of 4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid?
The InChIKey is HYUXKJKJHRHFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6/c13-7-4-1-2-12(10(17)18)3-5(4)11-8(14)6(7)9(15)16/h1-3H2,(H,15,16)(H,17,18)(H2,11,13,14).
What are the key properties of 4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid?
4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid has a molecular weight of 254.20 g/mol, XLogP of -0.19, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1,5,6,8-tetrahydro-1,7-naphthyridine-3,7-dicarboxylic acid is sourced from PubChem (CID 90994706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).