1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one

C10H9BrN2O2 — CID 977311

IUPAC1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1cncc(Br)c1
InChIInChI=1S/C10H9BrN2O2/c11-8-4-7(5-12-6-8)10(15)13-3-1-2-9(13)14/h4-6H,1-3H2
InChIKeyKKUYKXOTVPZRKI-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.61
Rot. Bonds1

About 1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one

1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one (PubChem CID 977311) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one
PubChem CID977311
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1cncc(Br)c1
InChIInChI=1S/C10H9BrN2O2/c11-8-4-7(5-12-6-8)10(15)13-3-1-2-9(13)14/h4-6H,1-3H2
InChIKeyKKUYKXOTVPZRKI-UHFFFAOYSA-N
XLogP1.61
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one (CID 977311) is 1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one is O=C1CCCN1C(=O)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one?
The InChIKey is KKUYKXOTVPZRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-8-4-7(5-12-6-8)10(15)13-3-1-2-9(13)14/h4-6H,1-3H2.
What are the key properties of 1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one?
1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one has a molecular weight of 269.10 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyridine-3-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 977311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).