methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate

C15H11FN2O3 — CID 1471656

IUPACmethyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1C
InChIInChI=1S/C15H11FN2O3/c1-9-13(15(19)20-2)7-10(8-17)14(18-9)21-12-5-3-11(16)4-6-12/h3-7H,1-2H3
InChIKeyZIIFFSXJJBSJDV-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.98
Rot. Bonds3

About methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate

methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate (PubChem CID 1471656) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate
PubChem CID1471656
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Namemethyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1C
InChIInChI=1S/C15H11FN2O3/c1-9-13(15(19)20-2)7-10(8-17)14(18-9)21-12-5-3-11(16)4-6-12/h3-7H,1-2H3
InChIKeyZIIFFSXJJBSJDV-UHFFFAOYSA-N
XLogP2.98
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-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 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate (CID 1471656) is methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate is COC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1C.
What is the InChIKey of methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate?
The InChIKey is ZIIFFSXJJBSJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-9-13(15(19)20-2)7-10(8-17)14(18-9)21-12-5-3-11(16)4-6-12/h3-7H,1-2H3.
What are the key properties of methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate?
methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate has a molecular weight of 286.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-6-(4-fluorophenoxy)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 1471656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).