6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one

C11H13F3N2O — CID 169148618

IUPAC6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C2CCNC2)ccc1CC(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)5-7-1-2-9(16-10(7)17)8-3-4-15-6-8/h1-2,8,15H,3-6H2,(H,16,17)
InChIKeyHHWZDNMNBNVQMW-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.56
Rot. Bonds2

About 6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one

6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one (PubChem CID 169148618) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
PubChem CID169148618
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C2CCNC2)ccc1CC(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)5-7-1-2-9(16-10(7)17)8-3-4-15-6-8/h1-2,8,15H,3-6H2,(H,16,17)
InChIKeyHHWZDNMNBNVQMW-UHFFFAOYSA-N
XLogP1.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trifluoromethyl)-1,6,7,9a-tetrahydropyrido[3,2-c]azepin-5-one
CID 143235787
3-(difluoromethyl)-5,6,7,8-tetrahydro-2H-2,7-naphthyridin-1-one
CID 163985694
3-[(1R)-1-aminoethyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 33728947
3-[(1S)-1-aminoethyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 33728956
1-(Pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63280296
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 72052837
(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95764723
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95764724
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119399152
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide
CID 119399153
(3S,4S)-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963638
3-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-1H-pyridin-2-one
CID 130751939

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The IUPAC name of 6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one (CID 169148618) is 6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one is O=c1[nH]c(C2CCNC2)ccc1CC(F)(F)F.
What is the InChIKey of 6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The InChIKey is HHWZDNMNBNVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)5-7-1-2-9(16-10(7)17)8-3-4-15-6-8/h1-2,8,15H,3-6H2,(H,16,17).
What are the key properties of 6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one has a molecular weight of 246.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 169148618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).