ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate

C21H15FN2O3 — CID 2769128

IUPACethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C21H15FN2O3/c1-2-26-21(25)18-12-15(13-23)20(27-17-10-8-16(22)9-11-17)24-19(18)14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKeyYYEWCRJAUKIKEQ-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.73
Rot. Bonds5

About ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate

ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate (PubChem CID 2769128) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate
PubChem CID2769128
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Nameethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C21H15FN2O3/c1-2-26-21(25)18-12-15(13-23)20(27-17-10-8-16(22)9-11-17)24-19(18)14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKeyYYEWCRJAUKIKEQ-UHFFFAOYSA-N
XLogP4.73
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate (CID 2769128) is ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate?
The InChIKey is YYEWCRJAUKIKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c1-2-26-21(25)18-12-15(13-23)20(27-17-10-8-16(22)9-11-17)24-19(18)14-6-4-3-5-7-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate?
ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate has a molecular weight of 362.36 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylpyridine-3-carboxylate is sourced from PubChem (CID 2769128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).