methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate

C14H10F3NO3 — CID 3314738

IUPACmethyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H10F3NO3/c1-20-13(19)11-6-3-7-12(18-11)21-10-5-2-4-9(8-10)14(15,16)17/h2-8H,1H3
InChIKeyIEDJTBQQGMDGLC-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.68
Rot. Bonds3

About methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate

methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate (PubChem CID 3314738) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate
PubChem CID3314738
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Namemethyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H10F3NO3/c1-20-13(19)11-6-3-7-12(18-11)21-10-5-2-4-9(8-10)14(15,16)17/h2-8H,1H3
InChIKeyIEDJTBQQGMDGLC-UHFFFAOYSA-N
XLogP3.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate (CID 3314738) is methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate is COC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate?
The InChIKey is IEDJTBQQGMDGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-20-13(19)11-6-3-7-12(18-11)21-10-5-2-4-9(8-10)14(15,16)17/h2-8H,1H3.
What are the key properties of methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate?
methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate has a molecular weight of 297.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylate is sourced from PubChem (CID 3314738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).