ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid

C9H11NO5 — CID 143267178

IUPACethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid
SMILESCC.O=C(O)c1cc(=O)cc(C(=O)O)[nH]1
InChIInChI=1S/C7H5NO5.C2H6/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;1-2/h1-2H,(H,8,9)(H,10,11)(H,12,13);1-2H3
InChIKeyQJCZGBIUADJWKA-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.80
Rot. Bonds2

About ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid

ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid (PubChem CID 143267178) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Nameethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid
PubChem CID143267178
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Nameethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid
SMILESCC.O=C(O)c1cc(=O)cc(C(=O)O)[nH]1
InChIInChI=1S/C7H5NO5.C2H6/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;1-2/h1-2H,(H,8,9)(H,10,11)(H,12,13);1-2H3
InChIKeyQJCZGBIUADJWKA-UHFFFAOYSA-N
XLogP0.80
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4,7-dioxo-1H-indole-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid?
The IUPAC name of ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid (CID 143267178) is ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid?
The canonical SMILES for ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid is CC.O=C(O)c1cc(=O)cc(C(=O)O)[nH]1.
What is the InChIKey of ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid?
The InChIKey is QJCZGBIUADJWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO5.C2H6/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;1-2/h1-2H,(H,8,9)(H,10,11)(H,12,13);1-2H3.
What are the key properties of ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid?
ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid has a molecular weight of 213.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 143267178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).