methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate

C16H17NO4 — CID 177204841

IUPACmethyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C)nc1-c1ccc(OC)cc1OC
InChIInChI=1S/C16H17NO4/c1-10-5-7-13(16(18)21-4)15(17-10)12-8-6-11(19-2)9-14(12)20-3/h5-9H,1-4H3
InChIKeyXQTQJVGSTBKSPU-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate

methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate (PubChem CID 177204841) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate
PubChem CID177204841
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C)nc1-c1ccc(OC)cc1OC
InChIInChI=1S/C16H17NO4/c1-10-5-7-13(16(18)21-4)15(17-10)12-8-6-11(19-2)9-14(12)20-3/h5-9H,1-4H3
InChIKeyXQTQJVGSTBKSPU-UHFFFAOYSA-N
XLogP2.86
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
methyl 5-methoxy-2-(2-methoxyphenyl)benzoate
CID 11844441
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82296819
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
2-(2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylic acid
CID 102275828
methyl 3-(2,5-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870182
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 63362576
4-(2,4-dimethoxyphenyl)-2,6-dimethylpyrimidin-5-amine
CID 82484014
3-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
CID 82371450

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate (CID 177204841) is methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate is COC(=O)c1ccc(C)nc1-c1ccc(OC)cc1OC.
What is the InChIKey of methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate?
The InChIKey is XQTQJVGSTBKSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-5-7-13(16(18)21-4)15(17-10)12-8-6-11(19-2)9-14(12)20-3/h5-9H,1-4H3.
What are the key properties of methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate?
methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 177204841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).