ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate

C15H14FNO3S — CID 21027706

IUPACethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(F)cnc1Oc1cccc(SC)c1
InChIInChI=1S/C15H14FNO3S/c1-3-19-15(18)13-7-10(16)9-17-14(13)20-11-5-4-6-12(8-11)21-2/h4-9H,3H2,1-2H3
InChIKeyGBHBWOIPUJQURB-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.91
Rot. Bonds5

About ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate

ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate (PubChem CID 21027706) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate
PubChem CID21027706
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Nameethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(F)cnc1Oc1cccc(SC)c1
InChIInChI=1S/C15H14FNO3S/c1-3-19-15(18)13-7-10(16)9-17-14(13)20-11-5-4-6-12(8-11)21-2/h4-9H,3H2,1-2H3
InChIKeyGBHBWOIPUJQURB-UHFFFAOYSA-N
XLogP3.91
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate (CID 21027706) is ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate is CCOC(=O)c1cc(F)cnc1Oc1cccc(SC)c1.
What is the InChIKey of ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate?
The InChIKey is GBHBWOIPUJQURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-3-19-15(18)13-7-10(16)9-17-14(13)20-11-5-4-6-12(8-11)21-2/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate?
ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 21027706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).