pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C11H11F3N2O — CID 116572842

IUPACpyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(c1cccnc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)10(3-5-16-7-10)9(17)8-2-1-4-15-6-8/h1-2,4,6,16H,3,5,7H2
InChIKeyZUNUMWQNOKCDSY-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.81
Rot. Bonds2

About pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 116572842) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID116572842
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Namepyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(c1cccnc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)10(3-5-16-7-10)9(17)8-2-1-4-15-6-8/h1-2,4,6,16H,3,5,7H2
InChIKeyZUNUMWQNOKCDSY-UHFFFAOYSA-N
XLogP1.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572790
N-[(1R)-1-pyridin-3-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81404390
N-[(1R)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81409905
(2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 172819902
1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid
CID 116921877
(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572944
(2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572851
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710418
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114669350
(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572885
2-(2-bromophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572808

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 116572842) is pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(c1cccnc1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is ZUNUMWQNOKCDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)10(3-5-16-7-10)9(17)8-2-1-4-15-6-8/h1-2,4,6,16H,3,5,7H2.
What are the key properties of pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 244.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 116572842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).