methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate

C13H15F3N2O2 — CID 169238689

IUPACmethyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)cc(N2CCC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H15F3N2O2/c1-8-5-10(12(19)20-2)17-11(6-8)18-4-3-9(7-18)13(14,15)16/h5-6,9H,3-4,7H2,1-2H3
InChIKeyXJDOMOADMIGZAU-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.57
Rot. Bonds2

About methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate

methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate (PubChem CID 169238689) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate
PubChem CID169238689
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Namemethyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)cc(N2CCC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H15F3N2O2/c1-8-5-10(12(19)20-2)17-11(6-8)18-4-3-9(7-18)13(14,15)16/h5-6,9H,3-4,7H2,1-2H3
InChIKeyXJDOMOADMIGZAU-UHFFFAOYSA-N
XLogP2.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate (CID 169238689) is methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate is COC(=O)c1cc(C)cc(N2CCC(C(F)(F)F)C2)n1.
What is the InChIKey of methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate?
The InChIKey is XJDOMOADMIGZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8-5-10(12(19)20-2)17-11(6-8)18-4-3-9(7-18)13(14,15)16/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate?
methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate has a molecular weight of 288.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 169238689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).