3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine

C16H17NO3 — CID 5388745

IUPAC3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
SMILESCOc1cc(/C=C/c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C16H17NO3/c1-18-14-9-13(10-15(19-2)16(14)20-3)7-6-12-5-4-8-17-11-12/h4-11H,1-3H3/b7-6+
InChIKeyXTJNJMOYKKLUOV-VOTSOKGWSA-N
MW271.32 g/mol
LogP3.28
Rot. Bonds5

About 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine

3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine (PubChem CID 5388745) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
PubChem CID5388745
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
SMILESCOc1cc(/C=C/c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C16H17NO3/c1-18-14-9-13(10-15(19-2)16(14)20-3)7-6-12-5-4-8-17-11-12/h4-11H,1-3H3/b7-6+
InChIKeyXTJNJMOYKKLUOV-VOTSOKGWSA-N
XLogP3.28
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine
CID 23761418
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine
CID 175586759
6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline
CID 10426212
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
(4E)-2-pyridin-3-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894561
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
3-methyl-5-[(Z)-2-pyridin-3-ylethenyl]pyridine
CID 143613503
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
The IUPAC name of 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine (CID 5388745) is 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine is COc1cc(/C=C/c2cccnc2)cc(OC)c1OC.
What is the InChIKey of 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
The InChIKey is XTJNJMOYKKLUOV-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H17NO3/c1-18-14-9-13(10-15(19-2)16(14)20-3)7-6-12-5-4-8-17-11-12/h4-11H,1-3H3/b7-6+.
What are the key properties of 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine has a molecular weight of 271.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine is sourced from PubChem (CID 5388745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).