1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one

C16H15FN2O2 — CID 141116621

IUPAC1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(-c2ccccc2F)cn1
InChIInChI=1S/C16H15FN2O2/c17-14-4-2-1-3-13(14)12-5-6-15(18-8-12)19-9-11(10-20)7-16(19)21/h1-6,8,11,20H,7,9-10H2
InChIKeyHMRGHCRQVAOBEH-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.23
Rot. Bonds3

About 1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one

1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 141116621) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID141116621
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(-c2ccccc2F)cn1
InChIInChI=1S/C16H15FN2O2/c17-14-4-2-1-3-13(14)12-5-6-15(18-8-12)19-9-11(10-20)7-16(19)21/h1-6,8,11,20H,7,9-10H2
InChIKeyHMRGHCRQVAOBEH-UHFFFAOYSA-N
XLogP2.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one (CID 141116621) is 1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ccc(-c2ccccc2F)cn1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is HMRGHCRQVAOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-14-4-2-1-3-13(14)12-5-6-15(18-8-12)19-9-11(10-20)7-16(19)21/h1-6,8,11,20H,7,9-10H2.
What are the key properties of 1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one?
1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 286.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 141116621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).