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

C18H18F2N2O2 — CID 151461187

IUPAC1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2nc(C(F)F)ccc2CO)cc1
InChIInChI=1S/C18H18F2N2O2/c19-18(20)15-8-7-14(11-23)17(21-15)13-5-3-12(4-6-13)10-22-9-1-2-16(22)24/h3-8,18,23H,1-2,9-11H2
InChIKeyPIMMVTYOMFRVJI-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.30
Rot. Bonds5

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

1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 151461187) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID151461187
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2nc(C(F)F)ccc2CO)cc1
InChIInChI=1S/C18H18F2N2O2/c19-18(20)15-8-7-14(11-23)17(21-15)13-5-3-12(4-6-13)10-22-9-1-2-16(22)24/h3-8,18,23H,1-2,9-11H2
InChIKeyPIMMVTYOMFRVJI-UHFFFAOYSA-N
XLogP3.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one (CID 151461187) is 1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(-c2nc(C(F)F)ccc2CO)cc1.
What is the InChIKey of 1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is PIMMVTYOMFRVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-18(20)15-8-7-14(11-23)17(21-15)13-5-3-12(4-6-13)10-22-9-1-2-16(22)24/h3-8,18,23H,1-2,9-11H2.
What are the key properties of 1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 332.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[6-(difluoromethyl)-3-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 151461187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).