2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate

C20H16FNO4 — CID 39902767

IUPAC2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate
SMILESO=C(OCCOc1ccccc1F)c1cccnc1Oc1ccccc1
InChIInChI=1S/C20H16FNO4/c21-17-10-4-5-11-18(17)24-13-14-25-20(23)16-9-6-12-22-19(16)26-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyZMMVTGUQOARIIF-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.25
Rot. Bonds7

About 2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate

2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate (PubChem CID 39902767) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate
PubChem CID39902767
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate
SMILESO=C(OCCOc1ccccc1F)c1cccnc1Oc1ccccc1
InChIInChI=1S/C20H16FNO4/c21-17-10-4-5-11-18(17)24-13-14-25-20(23)16-9-6-12-22-19(16)26-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyZMMVTGUQOARIIF-UHFFFAOYSA-N
XLogP4.25
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate
CID 31149133
1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone
CID 22612434
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
[(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate
CID 30925633
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 18171085
(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate
CID 18197147
(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate
CID 18171096
2-(2-fluorophenoxy)ethyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 47009465
(1-benzyltetrazol-5-yl)methyl 2-phenoxypyridine-3-carboxylate
CID 31582800
[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 16617205
2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713
ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
CID 24705692

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate (CID 39902767) is 2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate is O=C(OCCOc1ccccc1F)c1cccnc1Oc1ccccc1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate?
The InChIKey is ZMMVTGUQOARIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c21-17-10-4-5-11-18(17)24-13-14-25-20(23)16-9-6-12-22-19(16)26-15-7-2-1-3-8-15/h1-12H,13-14H2.
What are the key properties of 2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate?
2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate has a molecular weight of 353.35 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 39902767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).