4-(5-bromo-3-pyridinyl)pyrrolidin-2-one

C9H9BrN2O — CID 102567776

IUPAC4-(5-bromo-3-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(c2cncc(Br)c2)CN1
InChIInChI=1S/C9H9BrN2O/c10-8-1-6(3-11-5-8)7-2-9(13)12-4-7/h1,3,5,7H,2,4H2,(H,12,13)
InChIKeyUKBOFVYRGSYSTD-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.45
Rot. Bonds1

About 4-(5-bromo-3-pyridinyl)pyrrolidin-2-one

4-(5-bromo-3-pyridinyl)pyrrolidin-2-one (PubChem CID 102567776) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)pyrrolidin-2-one
PubChem CID102567776
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name4-(5-bromo-3-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(c2cncc(Br)c2)CN1
InChIInChI=1S/C9H9BrN2O/c10-8-1-6(3-11-5-8)7-2-9(13)12-4-7/h1,3,5,7H,2,4H2,(H,12,13)
InChIKeyUKBOFVYRGSYSTD-UHFFFAOYSA-N
XLogP1.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(5-bromo-3-pyridinyl)pyrrolidin-2-one (CID 102567776) is 4-(5-bromo-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)pyrrolidin-2-one is O=C1CC(c2cncc(Br)c2)CN1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is UKBOFVYRGSYSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-8-1-6(3-11-5-8)7-2-9(13)12-4-7/h1,3,5,7H,2,4H2,(H,12,13).
What are the key properties of 4-(5-bromo-3-pyridinyl)pyrrolidin-2-one?
4-(5-bromo-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 241.09 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 102567776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).