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

C22H23NO5 — CID 90670581

IUPAC5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccc(-c3cc(OC)c(OC)c(OC)c3)nc2)cc1OC
InChIInChI=1S/C22H23NO5/c1-24-18-9-7-14(10-19(18)25-2)15-6-8-17(23-13-15)16-11-20(26-3)22(28-5)21(12-16)27-4/h6-13H,1-5H3
InChIKeyOWBDWVSTYOJTOV-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.46
Rot. Bonds7

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

5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine (PubChem CID 90670581) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
PubChem CID90670581
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccc(-c3cc(OC)c(OC)c(OC)c3)nc2)cc1OC
InChIInChI=1S/C22H23NO5/c1-24-18-9-7-14(10-19(18)25-2)15-6-8-17(23-13-15)16-11-20(26-3)22(28-5)21(12-16)27-4/h6-13H,1-5H3
InChIKeyOWBDWVSTYOJTOV-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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Related Compounds

3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
CID 67422117
1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine
CID 22485481
N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
CID 10234367
N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
CID 20781185
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377
3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
CID 18874648
5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione
CID 11482037
2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 42281401
2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol
CID 117001680
N,N',2,2-tetramethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propane-1,3-diamine
CID 22485487
[6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate
CID 6418724

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine (CID 90670581) is 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine is COc1ccc(-c2ccc(-c3cc(OC)c(OC)c(OC)c3)nc2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine?
The InChIKey is OWBDWVSTYOJTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-24-18-9-7-14(10-19(18)25-2)15-6-8-17(23-13-15)16-11-20(26-3)22(28-5)21(12-16)27-4/h6-13H,1-5H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine?
5-(3,4-dimethoxyphenyl)-2-(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 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine is sourced from PubChem (CID 90670581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).