ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate

C14H12FNO3 — CID 23149051

IUPACethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C14H12FNO3/c1-2-18-14(17)10-3-8-13(16-9-10)19-12-6-4-11(15)5-7-12/h3-9H,2H2,1H3
InChIKeyPKIQRTAVMFJQFC-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.19
Rot. Bonds4

About ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate

ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate (PubChem CID 23149051) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
PubChem CID23149051
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Nameethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C14H12FNO3/c1-2-18-14(17)10-3-8-13(16-9-10)19-12-6-4-11(15)5-7-12/h3-9H,2H2,1H3
InChIKeyPKIQRTAVMFJQFC-UHFFFAOYSA-N
XLogP3.19
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
CID 106486678
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
ethyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 161046198
ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 24707678
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
CID 143813025
ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate
CID 31535631
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 6-(2-amino-3-hydroxyphenoxy)pyridine-3-carboxylate
CID 114764586

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate (CID 23149051) is ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate is CCOC(=O)c1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate?
The InChIKey is PKIQRTAVMFJQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-2-18-14(17)10-3-8-13(16-9-10)19-12-6-4-11(15)5-7-12/h3-9H,2H2,1H3.
What are the key properties of ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate?
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate has a molecular weight of 261.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 23149051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).