methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate

C20H13FN2O3 — CID 66806398

IUPACmethyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H13FN2O3/c1-25-20(24)14-10-16(12-22)23-19(11-14)13-2-6-17(7-3-13)26-18-8-4-15(21)5-9-18/h2-11H,1H3
InChIKeyJJYIINSBOPOYDO-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.34
Rot. Bonds4

About methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate

methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate (PubChem CID 66806398) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate
PubChem CID66806398
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Namemethyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H13FN2O3/c1-25-20(24)14-10-16(12-22)23-19(11-14)13-2-6-17(7-3-13)26-18-8-4-15(21)5-9-18/h2-11H,1H3
InChIKeyJJYIINSBOPOYDO-UHFFFAOYSA-N
XLogP4.34
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate (CID 66806398) is methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate is COC(=O)c1cc(C#N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.
What is the InChIKey of methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate?
The InChIKey is JJYIINSBOPOYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3/c1-25-20(24)14-10-16(12-22)23-19(11-14)13-2-6-17(7-3-13)26-18-8-4-15(21)5-9-18/h2-11H,1H3.
What are the key properties of methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate?
methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate has a molecular weight of 348.33 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-6-[4-(4-fluorophenoxy)phenyl]pyridine-4-carboxylate is sourced from PubChem (CID 66806398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).