(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile

C11H7ClF3N3O — CID 1486202

IUPAC(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
SMILESN#C[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1=O
InChIInChI=1S/C11H7ClF3N3O/c12-8-3-7(11(13,14)15)5-17-9(8)18-2-1-6(4-16)10(18)19/h3,5-6H,1-2H2/t6-/m0/s1
InChIKeyLHWGJYVSXNJPEY-LURJTMIESA-N
MW289.64 g/mol
LogP2.63
Rot. Bonds1

About (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile

(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile (PubChem CID 1486202) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
PubChem CID1486202
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC Name(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
SMILESN#C[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1=O
InChIInChI=1S/C11H7ClF3N3O/c12-8-3-7(11(13,14)15)5-17-9(8)18-2-1-6(4-16)10(18)19/h3,5-6H,1-2H2/t6-/m0/s1
InChIKeyLHWGJYVSXNJPEY-LURJTMIESA-N
XLogP2.63
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?
The IUPAC name of (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile (CID 1486202) is (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile is N#C[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1=O.
What is the InChIKey of (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?
The InChIKey is LHWGJYVSXNJPEY-LURJTMIESA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c12-8-3-7(11(13,14)15)5-17-9(8)18-2-1-6(4-16)10(18)19/h3,5-6H,1-2H2/t6-/m0/s1.
What are the key properties of (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile has a molecular weight of 289.64 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 1486202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).