1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione

C16H13BrN2O2 — CID 43520700

IUPAC1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(c2cccc(Br)n2)C1=O
InChIInChI=1S/C16H13BrN2O2/c1-16(11-6-3-2-4-7-11)10-14(20)19(15(16)21)13-9-5-8-12(17)18-13/h2-9H,10H2,1H3
InChIKeyQTSDCAPTPHWOGM-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.07
Rot. Bonds2

About 1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione

1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 43520700) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
PubChem CID43520700
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(c2cccc(Br)n2)C1=O
InChIInChI=1S/C16H13BrN2O2/c1-16(11-6-3-2-4-7-11)10-14(20)19(15(16)21)13-9-5-8-12(17)18-13/h2-9H,10H2,1H3
InChIKeyQTSDCAPTPHWOGM-UHFFFAOYSA-N
XLogP3.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 60886395
10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine
CID 134194197
1-(2,5-difluorophenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 47015641
1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 55033422
1-(1-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 65191301
2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid
CID 43437460
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 47082455
3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione
CID 114697465
3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61348826
3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
CID 62663417
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
CID 60977307

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione (CID 43520700) is 1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione is CC1(c2ccccc2)CC(=O)N(c2cccc(Br)n2)C1=O.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is QTSDCAPTPHWOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-16(11-6-3-2-4-7-11)10-14(20)19(15(16)21)13-9-5-8-12(17)18-13/h2-9H,10H2,1H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 345.20 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 43520700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).