1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one

C11H10ClF3N2O — CID 67953789

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10ClF3N2O/c1-6-2-3-9(18)17(6)10-8(12)4-7(5-16-10)11(13,14)15/h4-6H,2-3H2,1H3
InChIKeyDUEXZIWWVXRWFT-UHFFFAOYSA-N
MW278.66 g/mol
LogP3.27
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one (PubChem CID 67953789) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one
PubChem CID67953789
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10ClF3N2O/c1-6-2-3-9(18)17(6)10-8(12)4-7(5-16-10)11(13,14)15/h4-6H,2-3H2,1H3
InChIKeyDUEXZIWWVXRWFT-UHFFFAOYSA-N
XLogP3.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one (CID 67953789) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one is CC1CCC(=O)N1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one?
The InChIKey is DUEXZIWWVXRWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c1-6-2-3-9(18)17(6)10-8(12)4-7(5-16-10)11(13,14)15/h4-6H,2-3H2,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one has a molecular weight of 278.66 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 67953789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).