5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one

C9H10F2N2O — CID 163237837

IUPAC5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one
SMILESO=c1ccc(C2CNCC2(F)F)c[nH]1
InChIInChI=1S/C9H10F2N2O/c10-9(11)5-12-4-7(9)6-1-2-8(14)13-3-6/h1-3,7,12H,4-5H2,(H,13,14)
InChIKeyQVKWRKPLPONINE-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.70
Rot. Bonds1

About 5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one

5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one (PubChem CID 163237837) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one
PubChem CID163237837
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one
SMILESO=c1ccc(C2CNCC2(F)F)c[nH]1
InChIInChI=1S/C9H10F2N2O/c10-9(11)5-12-4-7(9)6-1-2-8(14)13-3-6/h1-3,7,12H,4-5H2,(H,13,14)
InChIKeyQVKWRKPLPONINE-UHFFFAOYSA-N
XLogP0.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one (CID 163237837) is 5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one is O=c1ccc(C2CNCC2(F)F)c[nH]1.
What is the InChIKey of 5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one?
The InChIKey is QVKWRKPLPONINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-9(11)5-12-4-7(9)6-1-2-8(14)13-3-6/h1-3,7,12H,4-5H2,(H,13,14).
What are the key properties of 5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one?
5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one has a molecular weight of 200.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropyrrolidin-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 163237837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).