4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid

C17H17NO6 — CID 3434675

IUPAC4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)c(C)nc(C)c2C(=O)O)cc1OC
InChIInChI=1S/C17H17NO6/c1-8-13(16(19)20)15(14(17(21)22)9(2)18-8)10-5-6-11(23-3)12(7-10)24-4/h5-7H,1-4H3,(H,19,20)(H,21,22)
InChIKeyZTDALACZAOUAOM-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.78
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid

4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid (PubChem CID 3434675) has the molecular formula C17H17NO6 and a molecular weight of 331.32 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
PubChem CID3434675
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)c(C)nc(C)c2C(=O)O)cc1OC
InChIInChI=1S/C17H17NO6/c1-8-13(16(19)20)15(14(17(21)22)9(2)18-8)10-5-6-11(23-3)12(7-10)24-4/h5-7H,1-4H3,(H,19,20)(H,21,22)
InChIKeyZTDALACZAOUAOM-UHFFFAOYSA-N
XLogP2.78
TPSA105.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82306772
diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232519
4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82302560
5-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 94701090
4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxyquinoline-3-carboxylic acid
CID 22097630
diethyl 4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 11291749
4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride
CID 139270209
dimethyl 4-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232537
3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 139651752
8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 90183224
4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223762
2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid
CID 162638294

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid (CID 3434675) is 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid is COc1ccc(-c2c(C(=O)O)c(C)nc(C)c2C(=O)O)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid?
The InChIKey is ZTDALACZAOUAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6/c1-8-13(16(19)20)15(14(17(21)22)9(2)18-8)10-5-6-11(23-3)12(7-10)24-4/h5-7H,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid?
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid has a molecular weight of 331.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 3434675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).