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

C20H16FNO3 — CID 66806383

IUPACmethyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H16FNO3/c1-13-11-15(20(23)24-2)12-19(22-13)14-3-7-17(8-4-14)25-18-9-5-16(21)6-10-18/h3-12H,1-2H3
InChIKeyAOQLCEQZOXMTGG-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.78
Rot. Bonds4

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

methyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate (PubChem CID 66806383) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is methyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate
PubChem CID66806383
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Namemethyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H16FNO3/c1-13-11-15(20(23)24-2)12-19(22-13)14-3-7-17(8-4-14)25-18-9-5-16(21)6-10-18/h3-12H,1-2H3
InChIKeyAOQLCEQZOXMTGG-UHFFFAOYSA-N
XLogP4.78
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate?
The IUPAC name of methyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate (CID 66806383) is methyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate is COC(=O)c1cc(C)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.
What is the InChIKey of methyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate?
The InChIKey is AOQLCEQZOXMTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-13-11-15(20(23)24-2)12-19(22-13)14-3-7-17(8-4-14)25-18-9-5-16(21)6-10-18/h3-12H,1-2H3.
What are the key properties of methyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate?
methyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate has a molecular weight of 337.35 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 66806383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).