2,6-dimethoxypyridine-3-carboxylic acid

C8H9NO4 — CID 853178

IUPAC2,6-dimethoxypyridine-3-carboxylic acid
SMILESCOc1ccc(C(=O)O)c(OC)n1
InChIInChI=1S/C8H9NO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4H,1-2H3,(H,10,11)
InChIKeySDJQZCSCHUIITF-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.80
Rot. Bonds3

About 2,6-dimethoxypyridine-3-carboxylic acid

2,6-dimethoxypyridine-3-carboxylic acid (PubChem CID 853178) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2,6-dimethoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethoxypyridine-3-carboxylic acid
PubChem CID853178
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2,6-dimethoxypyridine-3-carboxylic acid
SMILESCOc1ccc(C(=O)O)c(OC)n1
InChIInChI=1S/C8H9NO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4H,1-2H3,(H,10,11)
InChIKeySDJQZCSCHUIITF-UHFFFAOYSA-N
XLogP0.80
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxynicotinic acid
CID 592499
2-Methoxynicotinic acid
CID 708093
Methyl 6-methoxypyridine-3-carboxylate
CID 586039
6-(Difluoromethoxy)pyridine-3-carboxylic acid
CID 71303865
2-Ethoxypyridine-3-carboxylic acid
CID 2736345
6-Ethoxypyridine-3-carboxylic acid
CID 6485817
2-Chloro-6-methoxypyridine-3-carboxylic acid
CID 11769266
Methyl 4-Methoxynicotinate
CID 10678657
Methyl 2-methoxypyridine-3-carboxylate
CID 10820973
Methyl 2-methoxy-6-methylpyridine-3-carboxylate
CID 10910170
3-Acetyl-2,6-dimethoxypyridine
CID 16218074
2-Methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxypyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethoxypyridine-3-carboxylic acid (CID 853178) is 2,6-dimethoxypyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethoxypyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethoxypyridine-3-carboxylic acid is COc1ccc(C(=O)O)c(OC)n1.
What is the InChIKey of 2,6-dimethoxypyridine-3-carboxylic acid?
The InChIKey is SDJQZCSCHUIITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4H,1-2H3,(H,10,11).
What are the key properties of 2,6-dimethoxypyridine-3-carboxylic acid?
2,6-dimethoxypyridine-3-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxypyridine-3-carboxylic acid is sourced from PubChem (CID 853178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).