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

C15H12F3NO2 — CID 69039624

IUPACmethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C15H12F3NO2/c1-9-12(14(20)21-2)6-7-13(19-9)10-4-3-5-11(8-10)15(16,17)18/h3-8H,1-2H3
InChIKeyOVIUQXMULJMPQD-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.86
Rot. Bonds2

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

methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate (PubChem CID 69039624) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
PubChem CID69039624
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Namemethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C15H12F3NO2/c1-9-12(14(20)21-2)6-7-13(19-9)10-4-3-5-11(8-10)15(16,17)18/h3-8H,1-2H3
InChIKeyOVIUQXMULJMPQD-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate (CID 69039624) is methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1C.
What is the InChIKey of methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The InChIKey is OVIUQXMULJMPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-9-12(14(20)21-2)6-7-13(19-9)10-4-3-5-11(8-10)15(16,17)18/h3-8H,1-2H3.
What are the key properties of methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate has a molecular weight of 295.26 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 69039624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).