4-methoxypyridine-2,6-dicarboxylic acid

C8H7NO5 — CID 10488153

IUPAC4-methoxypyridine-2,6-dicarboxylic acid
SMILESCOc1cc(C(=O)O)nc(C(=O)O)c1
InChIInChI=1S/C8H7NO5/c1-14-4-2-5(7(10)11)9-6(3-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyINGKNNWONGEVCL-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.49
Rot. Bonds3

About 4-methoxypyridine-2,6-dicarboxylic acid

4-methoxypyridine-2,6-dicarboxylic acid (PubChem CID 10488153) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 4-methoxypyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-methoxypyridine-2,6-dicarboxylic acid
PubChem CID10488153
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name4-methoxypyridine-2,6-dicarboxylic acid
SMILESCOc1cc(C(=O)O)nc(C(=O)O)c1
InChIInChI=1S/C8H7NO5/c1-14-4-2-5(7(10)11)9-6(3-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyINGKNNWONGEVCL-UHFFFAOYSA-N
XLogP0.49
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxypyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-methoxypyridine-2,6-dicarboxylic acid (CID 10488153) is 4-methoxypyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-methoxypyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-methoxypyridine-2,6-dicarboxylic acid is COc1cc(C(=O)O)nc(C(=O)O)c1.
What is the InChIKey of 4-methoxypyridine-2,6-dicarboxylic acid?
The InChIKey is INGKNNWONGEVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c1-14-4-2-5(7(10)11)9-6(3-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-methoxypyridine-2,6-dicarboxylic acid?
4-methoxypyridine-2,6-dicarboxylic acid has a molecular weight of 197.15 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 10488153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).