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

C22H23NO5 — CID 90670575

IUPAC2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC
InChIInChI=1S/C22H23NO5/c1-24-18-10-9-14(11-19(18)25-2)16-7-6-8-17(23-16)15-12-20(26-3)22(28-5)21(13-15)27-4/h6-13H,1-5H3
InChIKeyAAIHRBLQQNUDIW-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.46
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine (PubChem CID 90670575) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine
PubChem CID90670575
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC
InChIInChI=1S/C22H23NO5/c1-24-18-10-9-14(11-19(18)25-2)16-7-6-8-17(23-16)15-12-20(26-3)22(28-5)21(13-15)27-4/h6-13H,1-5H3
InChIKeyAAIHRBLQQNUDIW-UHFFFAOYSA-N
XLogP4.46
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine (CID 90670575) is 2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine is COc1ccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine?
The InChIKey is AAIHRBLQQNUDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-24-18-10-9-14(11-19(18)25-2)16-7-6-8-17(23-16)15-12-20(26-3)22(28-5)21(13-15)27-4/h6-13H,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine?
2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine has a molecular weight of 381.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine is sourced from PubChem (CID 90670575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).