8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid

C11H8N2O5 — CID 70870175

IUPAC8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid
SMILESCc1cc(C(=O)O)nc2c(=O)cc(C(=O)O)[nH]c12
InChIInChI=1S/C11H8N2O5/c1-4-2-5(10(15)16)13-9-7(14)3-6(11(17)18)12-8(4)9/h2-3H,1H3,(H,12,14)(H,15,16)(H,17,18)
InChIKeyVAXSXXUELOAPML-UHFFFAOYSA-N
MW248.19 g/mol
LogP0.63
Rot. Bonds2

About 8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid

8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid (PubChem CID 70870175) has the molecular formula C11H8N2O5 and a molecular weight of 248.19 g/mol. Its IUPAC name is 8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid
PubChem CID70870175
Molecular FormulaC11H8N2O5
Molecular Weight248.19 g/mol
Exact Mass248.04
IUPAC Name8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid
SMILESCc1cc(C(=O)O)nc2c(=O)cc(C(=O)O)[nH]c12
InChIInChI=1S/C11H8N2O5/c1-4-2-5(10(15)16)13-9-7(14)3-6(11(17)18)12-8(4)9/h2-3H,1H3,(H,12,14)(H,15,16)(H,17,18)
InChIKeyVAXSXXUELOAPML-UHFFFAOYSA-N
XLogP0.63
TPSA120.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid?
The IUPAC name of 8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid (CID 70870175) is 8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid?
The canonical SMILES for 8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid is Cc1cc(C(=O)O)nc2c(=O)cc(C(=O)O)[nH]c12.
What is the InChIKey of 8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid?
The InChIKey is VAXSXXUELOAPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O5/c1-4-2-5(10(15)16)13-9-7(14)3-6(11(17)18)12-8(4)9/h2-3H,1H3,(H,12,14)(H,15,16)(H,17,18).
What are the key properties of 8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid?
8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid has a molecular weight of 248.19 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-1H-1,5-naphthyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 70870175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).