2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine

C17H18FNO4 — CID 71698290

IUPAC2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(F)n1
InChIInChI=1S/C17H18FNO4/c1-10(12-6-7-13(20-2)17(18)19-12)11-8-14(21-3)16(23-5)15(9-11)22-4/h6-9H,1H2,2-5H3
InChIKeySRRCODGBHNKNQV-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.32
Rot. Bonds6

About 2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine

2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine (PubChem CID 71698290) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
PubChem CID71698290
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(F)n1
InChIInChI=1S/C17H18FNO4/c1-10(12-6-7-13(20-2)17(18)19-12)11-8-14(21-3)16(23-5)15(9-11)22-4/h6-9H,1H2,2-5H3
InChIKeySRRCODGBHNKNQV-UHFFFAOYSA-N
XLogP3.32
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine-2-carboxamide
CID 130227383
2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
CID 71697961
1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 73345876
4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 89122708
cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 145336947
2-fluoro-6-iodo-3-methoxypyridine
CID 130883006
2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 141327397
diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 59330764
2-(hydroxymethyl)-6-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane-3,4,5-triol
CID 59330763
2-(3,4-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 141327398
2-(3,4,5-trimethoxyphenyl)prop-2-enoyl chloride
CID 175261663
CID 25069662
CID 25069662

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
The IUPAC name of 2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine (CID 71698290) is 2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine.
What is the SMILES notation for 2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
The canonical SMILES for 2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine is C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(F)n1.
What is the InChIKey of 2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
The InChIKey is SRRCODGBHNKNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-10(12-6-7-13(20-2)17(18)19-12)11-8-14(21-3)16(23-5)15(9-11)22-4/h6-9H,1H2,2-5H3.
What are the key properties of 2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine has a molecular weight of 319.33 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine is sourced from PubChem (CID 71698290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).