4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one

C9H7Br2ClN2O — CID 168689496

IUPAC4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ncc(Br)cc1Br
InChIInChI=1S/C9H7Br2ClN2O/c10-5-1-7(11)9(13-3-5)14-4-6(12)2-8(14)15/h1,3,6H,2,4H2
InChIKeyIQUNVIYDGVKDQC-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.95
Rot. Bonds1

About 4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one

4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168689496) has the molecular formula C9H7Br2ClN2O and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
PubChem CID168689496
Molecular FormulaC9H7Br2ClN2O
Molecular Weight354.43 g/mol
Exact Mass351.86
IUPAC Name4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ncc(Br)cc1Br
InChIInChI=1S/C9H7Br2ClN2O/c10-5-1-7(11)9(13-3-5)14-4-6(12)2-8(14)15/h1,3,6H,2,4H2
InChIKeyIQUNVIYDGVKDQC-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168687878
1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one
CID 168689527
[1-(3,5-dibromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677358
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181
4-chloro-1-(3,5-dichloropyrazin-2-yl)pyrrolidin-2-one
CID 168688926
4-chloro-1-(5-iodo-3-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688270
1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692100
5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168691534
1-(3-bromo-5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663833
1-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711824
4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168700882
1-(3-bromo-5-chloro-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686176

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one (CID 168689496) is 4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one is O=C1CC(Cl)CN1c1ncc(Br)cc1Br.
What is the InChIKey of 4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is IQUNVIYDGVKDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2ClN2O/c10-5-1-7(11)9(13-3-5)14-4-6(12)2-8(14)15/h1,3,6H,2,4H2.
What are the key properties of 4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one?
4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 354.43 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168689496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).