3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine

C21H21NO4 — CID 126672991

IUPAC3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2cncc(-c3cc(OC)c(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C21H21NO4/c1-23-18-7-5-14(6-8-18)16-9-17(13-22-12-16)15-10-19(24-2)21(26-4)20(11-15)25-3/h5-13H,1-4H3
InChIKeyWLOGROJXNGDJOH-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.45
Rot. Bonds6

About 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine

3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine (PubChem CID 126672991) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
PubChem CID126672991
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2cncc(-c3cc(OC)c(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C21H21NO4/c1-23-18-7-5-14(6-8-18)16-9-17(13-22-12-16)15-10-19(24-2)21(26-4)20(11-15)25-3/h5-13H,1-4H3
InChIKeyWLOGROJXNGDJOH-UHFFFAOYSA-N
XLogP4.45
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine
CID 141375557
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
3-(4-methoxyphenyl)-5-propan-2-ylpyridine
CID 59144720
7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline
CID 162674614
3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185200
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53388353
3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162667738
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
CID 91024089
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine (CID 126672991) is 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine is COc1ccc(-c2cncc(-c3cc(OC)c(OC)c(OC)c3)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine?
The InChIKey is WLOGROJXNGDJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-23-18-7-5-14(6-8-18)16-9-17(13-22-12-16)15-10-19(24-2)21(26-4)20(11-15)25-3/h5-13H,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine?
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine has a molecular weight of 351.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine is sourced from PubChem (CID 126672991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).