4,5,6-trimethylpyridine-2,3-dicarboxylic acid

C10H11NO4 — CID 23469808

IUPAC4,5,6-trimethylpyridine-2,3-dicarboxylic acid
SMILESCc1nc(C(=O)O)c(C(=O)O)c(C)c1C
InChIInChI=1S/C10H11NO4/c1-4-5(2)7(9(12)13)8(10(14)15)11-6(4)3/h1-3H3,(H,12,13)(H,14,15)
InChIKeyKAWVRMJMISXNSX-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.40
Rot. Bonds2

About 4,5,6-trimethylpyridine-2,3-dicarboxylic acid

4,5,6-trimethylpyridine-2,3-dicarboxylic acid (PubChem CID 23469808) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4,5,6-trimethylpyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name4,5,6-trimethylpyridine-2,3-dicarboxylic acid
PubChem CID23469808
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4,5,6-trimethylpyridine-2,3-dicarboxylic acid
SMILESCc1nc(C(=O)O)c(C(=O)O)c(C)c1C
InChIInChI=1S/C10H11NO4/c1-4-5(2)7(9(12)13)8(10(14)15)11-6(4)3/h1-3H3,(H,12,13)(H,14,15)
InChIKeyKAWVRMJMISXNSX-UHFFFAOYSA-N
XLogP1.40
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride
CID 70617975
5-(1,3-dioxepan-2-yl)-4,6-dimethylpyridine-2,3-dicarboxylic acid
CID 67620695
2-amino-5,6-dimethylpyrimidine-4-carboxylic acid
CID 83858605
4,5-dimethylpyridine-2,3-dicarboxylic acid
CID 53487983
4,6-dimethyl-2-methylsulfonylpyrimidine-5-carboxylic acid
CID 68683508
6-methylpyrimidine-4,5-dicarboxylic acid
CID 90696614
4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid
CID 137422664
3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+)
CID 23395992
6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid
CID 172832533
3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid
CID 129321029
2,6-dimethyl-5-prop-2-enoxycarbonylpyrimidine-4-carboxylic acid
CID 42742224
5-fluoro-2-methyl-1,3-oxazole-4-carboxylic acid
CID 68571540

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethylpyridine-2,3-dicarboxylic acid?
The IUPAC name of 4,5,6-trimethylpyridine-2,3-dicarboxylic acid (CID 23469808) is 4,5,6-trimethylpyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 4,5,6-trimethylpyridine-2,3-dicarboxylic acid?
The canonical SMILES for 4,5,6-trimethylpyridine-2,3-dicarboxylic acid is Cc1nc(C(=O)O)c(C(=O)O)c(C)c1C.
What is the InChIKey of 4,5,6-trimethylpyridine-2,3-dicarboxylic acid?
The InChIKey is KAWVRMJMISXNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-4-5(2)7(9(12)13)8(10(14)15)11-6(4)3/h1-3H3,(H,12,13)(H,14,15).
What are the key properties of 4,5,6-trimethylpyridine-2,3-dicarboxylic acid?
4,5,6-trimethylpyridine-2,3-dicarboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethylpyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 23469808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).