4,6-diethylpyridine-2,5-dicarboxylic acid

C11H13NO4 — CID 67650686

IUPAC4,6-diethylpyridine-2,5-dicarboxylic acid
SMILESCCc1cc(C(=O)O)nc(CC)c1C(=O)O
InChIInChI=1S/C11H13NO4/c1-3-6-5-8(10(13)14)12-7(4-2)9(6)11(15)16/h5H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyILEDRZSJORTMFF-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.60
Rot. Bonds4

About 4,6-diethylpyridine-2,5-dicarboxylic acid

4,6-diethylpyridine-2,5-dicarboxylic acid (PubChem CID 67650686) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4,6-diethylpyridine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name4,6-diethylpyridine-2,5-dicarboxylic acid
PubChem CID67650686
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4,6-diethylpyridine-2,5-dicarboxylic acid
SMILESCCc1cc(C(=O)O)nc(CC)c1C(=O)O
InChIInChI=1S/C11H13NO4/c1-3-6-5-8(10(13)14)12-7(4-2)9(6)11(15)16/h5H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyILEDRZSJORTMFF-UHFFFAOYSA-N
XLogP1.60
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethylpyridine-2,5-dicarboxylic acid?
The IUPAC name of 4,6-diethylpyridine-2,5-dicarboxylic acid (CID 67650686) is 4,6-diethylpyridine-2,5-dicarboxylic acid.
What is the SMILES notation for 4,6-diethylpyridine-2,5-dicarboxylic acid?
The canonical SMILES for 4,6-diethylpyridine-2,5-dicarboxylic acid is CCc1cc(C(=O)O)nc(CC)c1C(=O)O.
What is the InChIKey of 4,6-diethylpyridine-2,5-dicarboxylic acid?
The InChIKey is ILEDRZSJORTMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-3-6-5-8(10(13)14)12-7(4-2)9(6)11(15)16/h5H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4,6-diethylpyridine-2,5-dicarboxylic acid?
4,6-diethylpyridine-2,5-dicarboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethylpyridine-2,5-dicarboxylic acid is sourced from PubChem (CID 67650686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).