2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate

C11H10F3N2O2- — CID 154244901

IUPAC2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate
SMILESO=C([O-])N1CCCC1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-3-4-8(15-6-7)9-2-1-5-16(9)10(17)18/h3-4,6,9H,1-2,5H2,(H,17,18)/p-1
InChIKeyNQZFVJMTDPCXAJ-UHFFFAOYSA-M
MW259.21 g/mol
LogP1.58
Rot. Bonds1

About 2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate

2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate (PubChem CID 154244901) has the molecular formula C11H10F3N2O2- and a molecular weight of 259.21 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate
PubChem CID154244901
Molecular FormulaC11H10F3N2O2-
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate
SMILESO=C([O-])N1CCCC1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-3-4-8(15-6-7)9-2-1-5-16(9)10(17)18/h3-4,6,9H,1-2,5H2,(H,17,18)/p-1
InChIKeyNQZFVJMTDPCXAJ-UHFFFAOYSA-M
XLogP1.58
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110263943
2-[5-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 152646711
tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 126492165
pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976
pyridin-4-yl-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110254529
3-(tetrazol-1-yl)-1-[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 92615273
pyrazin-2-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669963
2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 140707313
(1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110263955
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92615622
tert-butyl 2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carboxylate;ethane
CID 155735409
1-(2-thiophen-3-ylpyrrolidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 55714601

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate?
The IUPAC name of 2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate (CID 154244901) is 2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate?
The canonical SMILES for 2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate is O=C([O-])N1CCCC1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate?
The InChIKey is NQZFVJMTDPCXAJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)7-3-4-8(15-6-7)9-2-1-5-16(9)10(17)18/h3-4,6,9H,1-2,5H2,(H,17,18)/p-1.
What are the key properties of 2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate?
2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate has a molecular weight of 259.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 154244901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).