1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one

C10H9F3N2O — CID 166609012

IUPAC1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)8-6-7(3-4-14-8)15-5-1-2-9(15)16/h3-4,6H,1-2,5H2
InChIKeyLVOMRXGTRJVLIR-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.23
Rot. Bonds1

About 1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one

1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one (PubChem CID 166609012) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
PubChem CID166609012
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)8-6-7(3-4-14-8)15-5-1-2-9(15)16/h3-4,6H,1-2,5H2
InChIKeyLVOMRXGTRJVLIR-UHFFFAOYSA-N
XLogP2.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179
4-sulfanyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 168710403
4-(morpholine-4-carbonyl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023005
3-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 139028746
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139028770
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 139023048
4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 163349454
4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139029314
[5-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677509
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one (CID 166609012) is 1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one is O=C1CCCN1c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one?
The InChIKey is LVOMRXGTRJVLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)8-6-7(3-4-14-8)15-5-1-2-9(15)16/h3-4,6H,1-2,5H2.
What are the key properties of 1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one?
1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one has a molecular weight of 230.19 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 166609012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).