pyridine-2,3,5,6-tetracarboxylic acid

C9H5NO8 — CID 2305107

IUPACpyridine-2,3,5,6-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)nc1C(=O)O
InChIInChI=1S/C9H5NO8/c11-6(12)2-1-3(7(13)14)5(9(17)18)10-4(2)8(15)16/h1H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyJRDBISOHUUQXHE-UHFFFAOYSA-N
MW255.14 g/mol
LogP-0.13
Rot. Bonds4

About pyridine-2,3,5,6-tetracarboxylic acid

pyridine-2,3,5,6-tetracarboxylic acid (PubChem CID 2305107) has the molecular formula C9H5NO8 and a molecular weight of 255.14 g/mol. Its IUPAC name is pyridine-2,3,5,6-tetracarboxylic acid.

Molecular Properties

Compound Namepyridine-2,3,5,6-tetracarboxylic acid
PubChem CID2305107
Molecular FormulaC9H5NO8
Molecular Weight255.14 g/mol
Exact Mass255.00
IUPAC Namepyridine-2,3,5,6-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)nc1C(=O)O
InChIInChI=1S/C9H5NO8/c11-6(12)2-1-3(7(13)14)5(9(17)18)10-4(2)8(15)16/h1H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyJRDBISOHUUQXHE-UHFFFAOYSA-N
XLogP-0.13
TPSA162.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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benzene-1,2,4,5-tetracarboxylic acid;ethene
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phenazine-2,3,7,8-tetracarboxylic acid
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5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid
CID 19010310
5-aminopyridine-2,3-dicarboxylic acid
CID 71695342
6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid
CID 54009396
pyridine-2,3-dicarboxylic acid
CID 1066
2,5-dicarboxybenzene-1,4-dithiolate
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benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443

Frequently Asked Questions

What is the IUPAC name of pyridine-2,3,5,6-tetracarboxylic acid?
The IUPAC name of pyridine-2,3,5,6-tetracarboxylic acid (CID 2305107) is pyridine-2,3,5,6-tetracarboxylic acid.
What is the SMILES notation for pyridine-2,3,5,6-tetracarboxylic acid?
The canonical SMILES for pyridine-2,3,5,6-tetracarboxylic acid is O=C(O)c1cc(C(=O)O)c(C(=O)O)nc1C(=O)O.
What is the InChIKey of pyridine-2,3,5,6-tetracarboxylic acid?
The InChIKey is JRDBISOHUUQXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO8/c11-6(12)2-1-3(7(13)14)5(9(17)18)10-4(2)8(15)16/h1H,(H,11,12)(H,13,14)(H,15,16)(H,17,18).
What are the key properties of pyridine-2,3,5,6-tetracarboxylic acid?
pyridine-2,3,5,6-tetracarboxylic acid has a molecular weight of 255.14 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,3,5,6-tetracarboxylic acid is sourced from PubChem (CID 2305107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).