2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine

C21H21NO4 — CID 90670578

IUPAC2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C21H21NO4/c1-23-16-10-8-14(9-11-16)17-6-5-7-18(22-17)15-12-19(24-2)21(26-4)20(13-15)25-3/h5-13H,1-4H3
InChIKeyINGIHQDATXXXLW-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.45
Rot. Bonds6

About 2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine

2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine (PubChem CID 90670578) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine
PubChem CID90670578
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C21H21NO4/c1-23-16-10-8-14(9-11-16)17-6-5-7-18(22-17)15-12-19(24-2)21(26-4)20(13-15)25-3/h5-13H,1-4H3
InChIKeyINGIHQDATXXXLW-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine (CID 90670578) is 2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine is COc1ccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine?
The InChIKey is INGIHQDATXXXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-23-16-10-8-14(9-11-16)17-6-5-7-18(22-17)15-12-19(24-2)21(26-4)20(13-15)25-3/h5-13H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine?
2-(4-methoxyphenyl)-6-(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 2-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine is sourced from PubChem (CID 90670578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).