6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid

C15H15NO5 — CID 125488706

IUPAC6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(-c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C15H15NO5/c1-19-10-7-11(16-12(8-10)15(17)18)9-4-5-13(20-2)14(6-9)21-3/h4-8H,1-3H3,(H,17,18)
InChIKeySEVIHRWSAXXWJA-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.47
Rot. Bonds5

About 6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid

6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid (PubChem CID 125488706) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid
PubChem CID125488706
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(-c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C15H15NO5/c1-19-10-7-11(16-12(8-10)15(17)18)9-4-5-13(20-2)14(6-9)21-3/h4-8H,1-3H3,(H,17,18)
InChIKeySEVIHRWSAXXWJA-UHFFFAOYSA-N
XLogP2.47
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid
CID 12785004
benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid
CID 20537523
4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223762
6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 141058986
6-(3,4-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914193
6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid
CID 163905465
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate
CID 70367689
1-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid
CID 19621456
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylacetic acid
CID 21408386
5,7-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11000344

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid (CID 125488706) is 6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid is COc1cc(C(=O)O)nc(-c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid?
The InChIKey is SEVIHRWSAXXWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-10-7-11(16-12(8-10)15(17)18)9-4-5-13(20-2)14(6-9)21-3/h4-8H,1-3H3,(H,17,18).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid?
6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 125488706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).