2,6-bis(2,4-dimethoxyphenyl)pyridine

C21H21NO4 — CID 90670569

IUPAC2,6-bis(2,4-dimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2cccc(-c3ccc(OC)cc3OC)n2)c(OC)c1
InChIInChI=1S/C21H21NO4/c1-23-14-8-10-16(20(12-14)25-3)18-6-5-7-19(22-18)17-11-9-15(24-2)13-21(17)26-4/h5-13H,1-4H3
InChIKeyPIMGIQWLAACBFJ-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.45
Rot. Bonds6

About 2,6-bis(2,4-dimethoxyphenyl)pyridine

2,6-bis(2,4-dimethoxyphenyl)pyridine (PubChem CID 90670569) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2,6-bis(2,4-dimethoxyphenyl)pyridine.

Molecular Properties

Compound Name2,6-bis(2,4-dimethoxyphenyl)pyridine
PubChem CID90670569
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2,6-bis(2,4-dimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2cccc(-c3ccc(OC)cc3OC)n2)c(OC)c1
InChIInChI=1S/C21H21NO4/c1-23-14-8-10-16(20(12-14)25-3)18-6-5-7-19(22-18)17-11-9-15(24-2)13-21(17)26-4/h5-13H,1-4H3
InChIKeyPIMGIQWLAACBFJ-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 2,6-bis(2,4-dimethoxyphenyl)pyridine?
The IUPAC name of 2,6-bis(2,4-dimethoxyphenyl)pyridine (CID 90670569) is 2,6-bis(2,4-dimethoxyphenyl)pyridine.
What is the SMILES notation for 2,6-bis(2,4-dimethoxyphenyl)pyridine?
The canonical SMILES for 2,6-bis(2,4-dimethoxyphenyl)pyridine is COc1ccc(-c2cccc(-c3ccc(OC)cc3OC)n2)c(OC)c1.
What is the InChIKey of 2,6-bis(2,4-dimethoxyphenyl)pyridine?
The InChIKey is PIMGIQWLAACBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-23-14-8-10-16(20(12-14)25-3)18-6-5-7-19(22-18)17-11-9-15(24-2)13-21(17)26-4/h5-13H,1-4H3.
What are the key properties of 2,6-bis(2,4-dimethoxyphenyl)pyridine?
2,6-bis(2,4-dimethoxyphenyl)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 2,6-bis(2,4-dimethoxyphenyl)pyridine is sourced from PubChem (CID 90670569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).