pyridine-2,5-dicarboxylic acid

C14H10N2O8 — CID 158970171

IUPACpyridine-2,5-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)nc1.O=C(O)c1ccc(C(=O)O)nc1
InChIInChI=1S/2C7H5NO4/c2*9-6(10)4-1-2-5(7(11)12)8-3-4/h2*1-3H,(H,9,10)(H,11,12)
InChIKeyJNSCXZPGFXSRGE-UHFFFAOYSA-N
MW334.24 g/mol
LogP0.96
Rot. Bonds4

About pyridine-2,5-dicarboxylic acid

pyridine-2,5-dicarboxylic acid (PubChem CID 158970171) has the molecular formula C14H10N2O8 and a molecular weight of 334.24 g/mol. Its IUPAC name is pyridine-2,5-dicarboxylic acid.

Molecular Properties

Compound Namepyridine-2,5-dicarboxylic acid
PubChem CID158970171
Molecular FormulaC14H10N2O8
Molecular Weight334.24 g/mol
Exact Mass334.04
IUPAC Namepyridine-2,5-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)nc1.O=C(O)c1ccc(C(=O)O)nc1
InChIInChI=1S/2C7H5NO4/c2*9-6(10)4-1-2-5(7(11)12)8-3-4/h2*1-3H,(H,9,10)(H,11,12)
InChIKeyJNSCXZPGFXSRGE-UHFFFAOYSA-N
XLogP0.96
TPSA174.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-acetylpyridine-3-carboxylic acid
CID 22323784
5-benzoylpyridine-2-carboxylic acid
CID 165358123
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
6-[tert-butyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 115116607
5-hydroxypyridine-2-carboxylic acid;hydrate
CID 44607741
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid
CID 155051674
5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113231389
6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427357
6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43430158
6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 115116603
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727

Frequently Asked Questions

What is the IUPAC name of pyridine-2,5-dicarboxylic acid?
The IUPAC name of pyridine-2,5-dicarboxylic acid (CID 158970171) is pyridine-2,5-dicarboxylic acid.
What is the SMILES notation for pyridine-2,5-dicarboxylic acid?
The canonical SMILES for pyridine-2,5-dicarboxylic acid is O=C(O)c1ccc(C(=O)O)nc1.O=C(O)c1ccc(C(=O)O)nc1.
What is the InChIKey of pyridine-2,5-dicarboxylic acid?
The InChIKey is JNSCXZPGFXSRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5NO4/c2*9-6(10)4-1-2-5(7(11)12)8-3-4/h2*1-3H,(H,9,10)(H,11,12).
What are the key properties of pyridine-2,5-dicarboxylic acid?
pyridine-2,5-dicarboxylic acid has a molecular weight of 334.24 g/mol, XLogP of 0.96, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,5-dicarboxylic acid is sourced from PubChem (CID 158970171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).