2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine

C16H17NO3 — CID 71697961

IUPAC2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccccn1
InChIInChI=1S/C16H17NO3/c1-11(13-7-5-6-8-17-13)12-9-14(18-2)16(20-4)15(10-12)19-3/h5-10H,1H2,2-4H3
InChIKeyRKWATDRZQXVKFO-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.17
Rot. Bonds5

About 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine

2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine (PubChem CID 71697961) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
PubChem CID71697961
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccccn1
InChIInChI=1S/C16H17NO3/c1-11(13-7-5-6-8-17-13)12-9-14(18-2)16(20-4)15(10-12)19-3/h5-10H,1H2,2-4H3
InChIKeyRKWATDRZQXVKFO-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
CID 71698290
1-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921510
N-hydroxy-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine-2-carboxamide
CID 130227383
4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 89122708
N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine
CID 4546533
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
CID 121304269
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide
CID 155805407
S-pyrimidin-2-yl 3,4,5-trimethoxybenzenecarbothioate
CID 4749807
2-[1-(4-ethenylphenyl)ethenyl]pyridine
CID 19918818
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
The IUPAC name of 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine (CID 71697961) is 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine.
What is the SMILES notation for 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
The canonical SMILES for 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine is C=C(c1cc(OC)c(OC)c(OC)c1)c1ccccn1.
What is the InChIKey of 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
The InChIKey is RKWATDRZQXVKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(13-7-5-6-8-17-13)12-9-14(18-2)16(20-4)15(10-12)19-3/h5-10H,1H2,2-4H3.
What are the key properties of 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine has a molecular weight of 271.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine is sourced from PubChem (CID 71697961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).