3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione

C16H13BrN2O2 — CID 3066585

IUPAC3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione
SMILESCc1cccnc1N1C(=O)CC(c2cccc(Br)c2)C1=O
InChIInChI=1S/C16H13BrN2O2/c1-10-4-3-7-18-15(10)19-14(20)9-13(16(19)21)11-5-2-6-12(17)8-11/h2-8,13H,9H2,1H3
InChIKeyVLEBRWOJQVFPAE-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.20
Rot. Bonds2

About 3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione

3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione (PubChem CID 3066585) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione
PubChem CID3066585
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione
SMILESCc1cccnc1N1C(=O)CC(c2cccc(Br)c2)C1=O
InChIInChI=1S/C16H13BrN2O2/c1-10-4-3-7-18-15(10)19-14(20)9-13(16(19)21)11-5-2-6-12(17)8-11/h2-8,13H,9H2,1H3
InChIKeyVLEBRWOJQVFPAE-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2-phthalimidopyridine
CID 10999049
1-(4-Chloropyridin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 3545931
1-(4-Chloropyridin-2-yl)-3-methyl-4-(4-methylbenzyl)pyrrolidine-2,5-dione
CID 3594322
1-(4-Chloro-2-pyridinyl)-3-(1-phenylethyl)-2,5-pyrrolidinedione
CID 3753925
N-(5-bromopyridin-2-yl)-3-cyclopentylpropanamide
CID 599999
1-(5-Chloropyridin-2-yl)-3-(3,5-dimethylbenzyl)pyrrolidine-2,5-dione
CID 4887430
4,5,6,7-Tetrabromo-2-pyridin-2-yl-isoindole-1,3-dione
CID 1089418
4-bromo-2-methyl-N-pyridin-2-ylbenzamide
CID 47265818
(6S)-2-amino-6-methyl-3-[[2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]-4-pyridinyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one
CID 89818383
2-phenyl-N-pyridin-2-ylpropanamide
CID 3107581
N-(3-Methyl-2-pyridyl)-3-(4-chlorophenyl)succinimide
CID 146069
5-bromo-1-methyl-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one
CID 15296268

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione (CID 3066585) is 3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione is Cc1cccnc1N1C(=O)CC(c2cccc(Br)c2)C1=O.
What is the InChIKey of 3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
The InChIKey is VLEBRWOJQVFPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-10-4-3-7-18-15(10)19-14(20)9-13(16(19)21)11-5-2-6-12(17)8-11/h2-8,13H,9H2,1H3.
What are the key properties of 3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione has a molecular weight of 345.20 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-(3-methyl-2-pyridinyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3066585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).