1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one

C9H8BrFN2O — CID 66678634

IUPAC1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one
SMILESO=C1C(F)CCN1c1ccc(Br)cn1
InChIInChI=1S/C9H8BrFN2O/c10-6-1-2-8(12-5-6)13-4-3-7(11)9(13)14/h1-2,5,7H,3-4H2
InChIKeyMPBUHRZOXSADCO-UHFFFAOYSA-N
MW259.08 g/mol
LogP1.92
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one

1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one (PubChem CID 66678634) has the molecular formula C9H8BrFN2O and a molecular weight of 259.08 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one
PubChem CID66678634
Molecular FormulaC9H8BrFN2O
Molecular Weight259.08 g/mol
Exact Mass257.98
IUPAC Name1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one
SMILESO=C1C(F)CCN1c1ccc(Br)cn1
InChIInChI=1S/C9H8BrFN2O/c10-6-1-2-8(12-5-6)13-4-3-7(11)9(13)14/h1-2,5,7H,3-4H2
InChIKeyMPBUHRZOXSADCO-UHFFFAOYSA-N
XLogP1.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one (CID 66678634) is 1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one is O=C1C(F)CCN1c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one?
The InChIKey is MPBUHRZOXSADCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O/c10-6-1-2-8(12-5-6)13-4-3-7(11)9(13)14/h1-2,5,7H,3-4H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one?
1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one has a molecular weight of 259.08 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one is sourced from PubChem (CID 66678634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).