5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid

C12H8N2O5 — CID 54281951

IUPAC5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC(=O)c2cccc(=O)[nH]2)cn1
InChIInChI=1S/C12H8N2O5/c15-10-3-1-2-9(14-10)12(18)19-7-4-5-8(11(16)17)13-6-7/h1-6H,(H,14,15)(H,16,17)
InChIKeyRRJUMNIXJBRVCS-UHFFFAOYSA-N
MW260.21 g/mol
LogP0.69
Rot. Bonds3

About 5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid

5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid (PubChem CID 54281951) has the molecular formula C12H8N2O5 and a molecular weight of 260.21 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid
PubChem CID54281951
Molecular FormulaC12H8N2O5
Molecular Weight260.21 g/mol
Exact Mass260.04
IUPAC Name5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC(=O)c2cccc(=O)[nH]2)cn1
InChIInChI=1S/C12H8N2O5/c15-10-3-1-2-9(14-10)12(18)19-7-4-5-8(11(16)17)13-6-7/h1-6H,(H,14,15)(H,16,17)
InChIKeyRRJUMNIXJBRVCS-UHFFFAOYSA-N
XLogP0.69
TPSA109.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid?
The IUPAC name of 5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid (CID 54281951) is 5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid?
The canonical SMILES for 5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid is O=C(O)c1ccc(OC(=O)c2cccc(=O)[nH]2)cn1.
What is the InChIKey of 5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid?
The InChIKey is RRJUMNIXJBRVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5/c15-10-3-1-2-9(14-10)12(18)19-7-4-5-8(11(16)17)13-6-7/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid?
5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1H-pyridine-2-carbonyl)oxypyridine-2-carboxylic acid is sourced from PubChem (CID 54281951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).