pyridine-2,3-dicarboxylic acid

C7H5NO4 — CID 1066

IUPACpyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1cccnc1C(=O)O
InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyGJAWHXHKYYXBSV-UHFFFAOYSA-N
MW167.12 g/mol
LogP0.48
Rot. Bonds2

About pyridine-2,3-dicarboxylic acid

pyridine-2,3-dicarboxylic acid (PubChem CID 1066) has the molecular formula C7H5NO4 and a molecular weight of 167.12 g/mol. Its IUPAC name is pyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Namepyridine-2,3-dicarboxylic acid
PubChem CID1066
Molecular FormulaC7H5NO4
Molecular Weight167.12 g/mol
Exact Mass167.02
IUPAC Namepyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1cccnc1C(=O)O
InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyGJAWHXHKYYXBSV-UHFFFAOYSA-N
XLogP0.48
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
sodium;copper;hydride;phosphorous acid;pyridine-2,3-dicarboxylic acid
CID 175504102
pyridine-2,3-dicarboxylic acid;quinoline
CID 158705620
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
3-oxalopyridine-2-carboxylic acid
CID 15639413
2-(3-oxo-3-phenylpropanoyl)pyridine-3-carboxylic acid
CID 117063605
3-(4-fluorobenzoyl)pyridine-2-carboxylic acid
CID 10014744
2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 20750066
(3-carboxy-2-pyridinyl)astatine
CID 174507208
CID 119078369
CID 119078369
tetrakis(2-carboxypyridin-3-olate);iridium
CID 173055687

Frequently Asked Questions

What is the IUPAC name of pyridine-2,3-dicarboxylic acid?
The IUPAC name of pyridine-2,3-dicarboxylic acid (CID 1066) is pyridine-2,3-dicarboxylic acid.
What is the SMILES notation for pyridine-2,3-dicarboxylic acid?
The canonical SMILES for pyridine-2,3-dicarboxylic acid is O=C(O)c1cccnc1C(=O)O.
What is the InChIKey of pyridine-2,3-dicarboxylic acid?
The InChIKey is GJAWHXHKYYXBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12).
What are the key properties of pyridine-2,3-dicarboxylic acid?
pyridine-2,3-dicarboxylic acid has a molecular weight of 167.12 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 1066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).