1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one

C11H10BrClN2O — CID 168686176

IUPAC1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C11H10BrClN2O/c1-2-7-3-10(16)15(6-7)11-9(12)4-8(13)5-14-11/h2,4-5,7H,1,3,6H2
InChIKeyCAWPKKDRSPKQFC-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.04
Rot. Bonds2

About 1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one

1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686176) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one
PubChem CID168686176
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C11H10BrClN2O/c1-2-7-3-10(16)15(6-7)11-9(12)4-8(13)5-14-11/h2,4-5,7H,1,3,6H2
InChIKeyCAWPKKDRSPKQFC-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663833
1-(3-bromo-6-chloropyrazin-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686615
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682854
1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686184
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677367
1-(3,5-dibromo-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685536
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one
CID 168685548
methyl 1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694987
1-(3-bromo-5-chloro-2-ethoxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168684182
1-(3-bromo-4-chlorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685785
4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
CID 168685589
2-chloro-4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile
CID 168686133

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one (CID 168686176) is 1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2ncc(Cl)cc2Br)C1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is CAWPKKDRSPKQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-2-7-3-10(16)15(6-7)11-9(12)4-8(13)5-14-11/h2,4-5,7H,1,3,6H2.
What are the key properties of 1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one?
1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 301.57 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).