5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one

C9H11FN2O — CID 141424047

IUPAC5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)cc1[C@H]1CCCN1
InChIInChI=1S/C9H11FN2O/c10-6-4-7(9(13)12-5-6)8-2-1-3-11-8/h4-5,8,11H,1-3H2,(H,12,13)/t8-/m1/s1
InChIKeyLRBIKPBAAQKUGJ-MRVPVSSYSA-N
MW182.20 g/mol
LogP0.94
Rot. Bonds1

About 5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one

5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one (PubChem CID 141424047) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one
PubChem CID141424047
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)cc1[C@H]1CCCN1
InChIInChI=1S/C9H11FN2O/c10-6-4-7(9(13)12-5-6)8-2-1-3-11-8/h4-5,8,11H,1-3H2,(H,12,13)/t8-/m1/s1
InChIKeyLRBIKPBAAQKUGJ-MRVPVSSYSA-N
XLogP0.94
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one (CID 141424047) is 5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one is O=c1[nH]cc(F)cc1[C@H]1CCCN1.
What is the InChIKey of 5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one?
The InChIKey is LRBIKPBAAQKUGJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-6-4-7(9(13)12-5-6)8-2-1-3-11-8/h4-5,8,11H,1-3H2,(H,12,13)/t8-/m1/s1.
What are the key properties of 5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one?
5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one has a molecular weight of 182.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 141424047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).