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

C10H11NO5 — CID 172832533

IUPAC6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid
SMILESCOc1nc(C)c(C(=O)O)c(C(=O)O)c1C
InChIInChI=1S/C10H11NO5/c1-4-6(9(12)13)7(10(14)15)5(2)11-8(4)16-3/h1-3H3,(H,12,13)(H,14,15)
InChIKeyVRYHIOBLEDWCRL-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.10
Rot. Bonds3

About 6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid

6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid (PubChem CID 172832533) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid
PubChem CID172832533
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid
SMILESCOc1nc(C)c(C(=O)O)c(C(=O)O)c1C
InChIInChI=1S/C10H11NO5/c1-4-6(9(12)13)7(10(14)15)5(2)11-8(4)16-3/h1-3H3,(H,12,13)(H,14,15)
InChIKeyVRYHIOBLEDWCRL-UHFFFAOYSA-N
XLogP1.10
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid?
The IUPAC name of 6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid (CID 172832533) is 6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid.
What is the SMILES notation for 6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid?
The canonical SMILES for 6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid is COc1nc(C)c(C(=O)O)c(C(=O)O)c1C.
What is the InChIKey of 6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid?
The InChIKey is VRYHIOBLEDWCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-4-6(9(12)13)7(10(14)15)5(2)11-8(4)16-3/h1-3H3,(H,12,13)(H,14,15).
What are the key properties of 6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid?
6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 172832533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).