ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate

C17H16FNO4 — CID 90167103

IUPACethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate
SMILESC=Cc1ccnc(Oc2c(F)cccc2OC)c1C(=O)OCC
InChIInChI=1S/C17H16FNO4/c1-4-11-9-10-19-16(14(11)17(20)22-5-2)23-15-12(18)7-6-8-13(15)21-3/h4,6-10H,1,5H2,2-3H3
InChIKeyMQLFQZLNVRPPHK-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.84
Rot. Bonds6

About ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate

ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate (PubChem CID 90167103) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate
PubChem CID90167103
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Nameethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate
SMILESC=Cc1ccnc(Oc2c(F)cccc2OC)c1C(=O)OCC
InChIInChI=1S/C17H16FNO4/c1-4-11-9-10-19-16(14(11)17(20)22-5-2)23-15-12(18)7-6-8-13(15)21-3/h4,6-10H,1,5H2,2-3H3
InChIKeyMQLFQZLNVRPPHK-UHFFFAOYSA-N
XLogP3.84
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate
CID 90166931
ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 90166894
ethyl 2-(4-cyano-2-fluoro-6-methylphenoxy)-4-ethenylpyridine-3-carboxylate
CID 90167196
ethyl 2-[5-(cyanomethyl)-2-fluorophenoxy]-4-ethenylpyridine-3-carboxylate
CID 90167127
ethyl 2-(2-fluoro-4,6-dimethylphenoxy)-4-formylpyridine-3-carboxylate
CID 90167369
ethyl 2-(2,2-difluorobutoxy)-4-ethenylpyridine-3-carboxylate;ethyl 2-(2,2-difluorobutoxy)-4-formylpyridine-3-carboxylate
CID 158253204
ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate
CID 90167198
ethyl 2,6-difluorobenzoate
CID 519631
1-ethenyl-2-ethoxy-3-methoxybenzene
CID 11629687
propyl 2-fluoro-6-methoxybenzoate
CID 65433073
ethyl 2-bromo-4-methoxypyridine-3-carboxylate
CID 90167118
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate (CID 90167103) is ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate is C=Cc1ccnc(Oc2c(F)cccc2OC)c1C(=O)OCC.
What is the InChIKey of ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate?
The InChIKey is MQLFQZLNVRPPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-4-11-9-10-19-16(14(11)17(20)22-5-2)23-15-12(18)7-6-8-13(15)21-3/h4,6-10H,1,5H2,2-3H3.
What are the key properties of ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate?
ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate has a molecular weight of 317.32 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 90167103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).