1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one

C10H10BrClN2O2 — CID 168687878

IUPAC1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one
SMILESCOc1cc(Br)cnc1N1CC(Cl)CC1=O
InChIInChI=1S/C10H10BrClN2O2/c1-16-8-2-6(11)4-13-10(8)14-5-7(12)3-9(14)15/h2,4,7H,3,5H2,1H3
InChIKeyVVOJNKUMAAEUNN-UHFFFAOYSA-N
MW305.56 g/mol
LogP2.20
Rot. Bonds2

About 1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one

1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one (PubChem CID 168687878) has the molecular formula C10H10BrClN2O2 and a molecular weight of 305.56 g/mol. Its IUPAC name is 1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one
PubChem CID168687878
Molecular FormulaC10H10BrClN2O2
Molecular Weight305.56 g/mol
Exact Mass303.96
IUPAC Name1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one
SMILESCOc1cc(Br)cnc1N1CC(Cl)CC1=O
InChIInChI=1S/C10H10BrClN2O2/c1-16-8-2-6(11)4-13-10(8)14-5-7(12)3-9(14)15/h2,4,7H,3,5H2,1H3
InChIKeyVVOJNKUMAAEUNN-UHFFFAOYSA-N
XLogP2.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one
CID 168699602
4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
CID 168689496
1-(5-bromo-3-methoxy-2-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168500913
1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714145
1-(4-bromo-2-methoxy-5-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688031
4-chloro-1-(5-iodo-3-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688270
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
1-(2-bromo-5-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688119
1-(3-bromo-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688351
1-(5-bromo-3-fluoro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703201
1-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711824

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one?
The IUPAC name of 1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one (CID 168687878) is 1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one?
The canonical SMILES for 1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one is COc1cc(Br)cnc1N1CC(Cl)CC1=O.
What is the InChIKey of 1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one?
The InChIKey is VVOJNKUMAAEUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O2/c1-16-8-2-6(11)4-13-10(8)14-5-7(12)3-9(14)15/h2,4,7H,3,5H2,1H3.
What are the key properties of 1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one?
1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one has a molecular weight of 305.56 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one is sourced from PubChem (CID 168687878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).