1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one

C11H9BrN2O — CID 168502280

IUPAC1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccc(Br)nc2)C1
InChIInChI=1S/C11H9BrN2O/c1-2-8-5-11(15)14(7-8)9-3-4-10(12)13-6-9/h1,3-4,6,8H,5,7H2
InChIKeyOIIOSVZWDGYRTA-UHFFFAOYSA-N
MW265.11 g/mol
LogP1.83
Rot. Bonds1

About 1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one

1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one (PubChem CID 168502280) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one
PubChem CID168502280
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccc(Br)nc2)C1
InChIInChI=1S/C11H9BrN2O/c1-2-8-5-11(15)14(7-8)9-3-4-10(12)13-6-9/h1,3-4,6,8H,5,7H2
InChIKeyOIIOSVZWDGYRTA-UHFFFAOYSA-N
XLogP1.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-ethynyl-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168502281
1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597
1-(5-bromopyrimidin-2-yl)-4-ethynylpyrrolidin-2-one
CID 168502516
4-ethynyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 168501132
1-(3-bromo-4-fluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168502147
4-ethynyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 168501478
1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168502286
4-ethynyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168501389
4-ethynyl-1-(5-iodopyrimidin-2-yl)pyrrolidin-2-one
CID 168502519
4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168501135
1-(3-amino-4-methylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501179
1-[4-[(4-aminophenyl)methyl]phenyl]-4-ethynylpyrrolidin-2-one
CID 168502773

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one?
The IUPAC name of 1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one (CID 168502280) is 1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one.
What is the SMILES notation for 1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one?
The canonical SMILES for 1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one is C#CC1CC(=O)N(c2ccc(Br)nc2)C1.
What is the InChIKey of 1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one?
The InChIKey is OIIOSVZWDGYRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-2-8-5-11(15)14(7-8)9-3-4-10(12)13-6-9/h1,3-4,6,8H,5,7H2.
What are the key properties of 1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one?
1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one has a molecular weight of 265.11 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one is sourced from PubChem (CID 168502280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).