2,4-bis(3,4,5-trimethoxyphenyl)pyridine

C23H25NO6 — CID 90670570

IUPAC2,4-bis(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC
InChIInChI=1S/C23H25NO6/c1-25-18-10-15(11-19(26-2)22(18)29-5)14-7-8-24-17(9-14)16-12-20(27-3)23(30-6)21(13-16)28-4/h7-13H,1-6H3
InChIKeyMJBYLDYUWYSGAQ-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.47
Rot. Bonds8

About 2,4-bis(3,4,5-trimethoxyphenyl)pyridine

2,4-bis(3,4,5-trimethoxyphenyl)pyridine (PubChem CID 90670570) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is 2,4-bis(3,4,5-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name2,4-bis(3,4,5-trimethoxyphenyl)pyridine
PubChem CID90670570
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Name2,4-bis(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC
InChIInChI=1S/C23H25NO6/c1-25-18-10-15(11-19(26-2)22(18)29-5)14-7-8-24-17(9-14)16-12-20(27-3)23(30-6)21(13-16)28-4/h7-13H,1-6H3
InChIKeyMJBYLDYUWYSGAQ-UHFFFAOYSA-N
XLogP4.47
TPSA68.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,4,5-trimethoxyphenyl)pyridine?
The IUPAC name of 2,4-bis(3,4,5-trimethoxyphenyl)pyridine (CID 90670570) is 2,4-bis(3,4,5-trimethoxyphenyl)pyridine.
What is the SMILES notation for 2,4-bis(3,4,5-trimethoxyphenyl)pyridine?
The canonical SMILES for 2,4-bis(3,4,5-trimethoxyphenyl)pyridine is COc1cc(-c2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC.
What is the InChIKey of 2,4-bis(3,4,5-trimethoxyphenyl)pyridine?
The InChIKey is MJBYLDYUWYSGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-25-18-10-15(11-19(26-2)22(18)29-5)14-7-8-24-17(9-14)16-12-20(27-3)23(30-6)21(13-16)28-4/h7-13H,1-6H3.
What are the key properties of 2,4-bis(3,4,5-trimethoxyphenyl)pyridine?
2,4-bis(3,4,5-trimethoxyphenyl)pyridine has a molecular weight of 411.45 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,4,5-trimethoxyphenyl)pyridine is sourced from PubChem (CID 90670570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).