ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate

C18H18FNO3 — CID 90166931

IUPACethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate
SMILESC=Cc1ccnc(Oc2ccc(CC)cc2F)c1C(=O)OCC
InChIInChI=1S/C18H18FNO3/c1-4-12-7-8-15(14(19)11-12)23-17-16(18(21)22-6-3)13(5-2)9-10-20-17/h5,7-11H,2,4,6H2,1,3H3
InChIKeyBKLPLBQBIVLVGV-UHFFFAOYSA-N
MW315.34 g/mol
LogP4.40
Rot. Bonds6

About ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate

ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate (PubChem CID 90166931) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate
PubChem CID90166931
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Nameethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate
SMILESC=Cc1ccnc(Oc2ccc(CC)cc2F)c1C(=O)OCC
InChIInChI=1S/C18H18FNO3/c1-4-12-7-8-15(14(19)11-12)23-17-16(18(21)22-6-3)13(5-2)9-10-20-17/h5,7-11H,2,4,6H2,1,3H3
InChIKeyBKLPLBQBIVLVGV-UHFFFAOYSA-N
XLogP4.40
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 90166894
ethyl 2-[5-(cyanomethyl)-2-fluorophenoxy]-4-ethenylpyridine-3-carboxylate
CID 90167127
ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate
CID 90167103
ethyl 2-(4-cyano-2-fluoro-6-methylphenoxy)-4-ethenylpyridine-3-carboxylate
CID 90167196
ethyl 2-(2,2-difluorobutoxy)-4-ethenylpyridine-3-carboxylate;ethyl 2-(2,2-difluorobutoxy)-4-formylpyridine-3-carboxylate
CID 158253204
ethyl 2-(2-fluoro-4,6-dimethylphenoxy)-4-formylpyridine-3-carboxylate
CID 90167369
ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate
CID 90167198
ethyl 3-(3-ethenyl-4,5-difluorophenyl)propanoate
CID 57470571
ethyl 2-ethenyl-4-iodopyridine-3-carboxylate
CID 121321231
ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate
CID 169260890
N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide
CID 143062235
ethyl 2,4,6-triethylbenzoate
CID 12702183

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate (CID 90166931) is ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate is C=Cc1ccnc(Oc2ccc(CC)cc2F)c1C(=O)OCC.
What is the InChIKey of ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate?
The InChIKey is BKLPLBQBIVLVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-4-12-7-8-15(14(19)11-12)23-17-16(18(21)22-6-3)13(5-2)9-10-20-17/h5,7-11H,2,4,6H2,1,3H3.
What are the key properties of ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate?
ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate has a molecular weight of 315.34 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 90166931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).