4,5-dimethylpyridine-2,3-dicarboxylic acid

C9H9NO4 — CID 53487983

IUPAC4,5-dimethylpyridine-2,3-dicarboxylic acid
SMILESCc1cnc(C(=O)O)c(C(=O)O)c1C
InChIInChI=1S/C9H9NO4/c1-4-3-10-7(9(13)14)6(5(4)2)8(11)12/h3H,1-2H3,(H,11,12)(H,13,14)
InChIKeyMJSQLOAJVHXQKD-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.09
Rot. Bonds2

About 4,5-dimethylpyridine-2,3-dicarboxylic acid

4,5-dimethylpyridine-2,3-dicarboxylic acid (PubChem CID 53487983) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 4,5-dimethylpyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name4,5-dimethylpyridine-2,3-dicarboxylic acid
PubChem CID53487983
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name4,5-dimethylpyridine-2,3-dicarboxylic acid
SMILESCc1cnc(C(=O)O)c(C(=O)O)c1C
InChIInChI=1S/C9H9NO4/c1-4-3-10-7(9(13)14)6(5(4)2)8(11)12/h3H,1-2H3,(H,11,12)(H,13,14)
InChIKeyMJSQLOAJVHXQKD-UHFFFAOYSA-N
XLogP1.09
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylpyridine-2,3-dicarboxylic acid?
The IUPAC name of 4,5-dimethylpyridine-2,3-dicarboxylic acid (CID 53487983) is 4,5-dimethylpyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 4,5-dimethylpyridine-2,3-dicarboxylic acid?
The canonical SMILES for 4,5-dimethylpyridine-2,3-dicarboxylic acid is Cc1cnc(C(=O)O)c(C(=O)O)c1C.
What is the InChIKey of 4,5-dimethylpyridine-2,3-dicarboxylic acid?
The InChIKey is MJSQLOAJVHXQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-4-3-10-7(9(13)14)6(5(4)2)8(11)12/h3H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 4,5-dimethylpyridine-2,3-dicarboxylic acid?
4,5-dimethylpyridine-2,3-dicarboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylpyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 53487983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).