1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one

C18H17F3N2O2 — CID 153337802

IUPAC1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)15-8-7-14(11-24)17(22-15)13-5-3-12(4-6-13)10-23-9-1-2-16(23)25/h3-8,24H,1-2,9-11H2
InChIKeyQBOASDQIVIAQRY-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.38
Rot. Bonds4

About 1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one

1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 153337802) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID153337802
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)15-8-7-14(11-24)17(22-15)13-5-3-12(4-6-13)10-23-9-1-2-16(23)25/h3-8,24H,1-2,9-11H2
InChIKeyQBOASDQIVIAQRY-UHFFFAOYSA-N
XLogP3.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one (CID 153337802) is 1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1.
What is the InChIKey of 1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is QBOASDQIVIAQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)15-8-7-14(11-24)17(22-15)13-5-3-12(4-6-13)10-23-9-1-2-16(23)25/h3-8,24H,1-2,9-11H2.
What are the key properties of 1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 350.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 153337802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).