Mls003171246
Basic information
- CAS
3471-04-3- Standard SMILES
CN1C(=O)C(Br)(Br)CC1c1cccnc1- InChIKey
AUVVLHBHNHNTLK-UHFFFAOYSA-N- Molecular formula
- C10H10Br2N2O
- Average molar mass
- 334.01 g/mol
- Monoisotopic mass
- 331.91599
Names & identifiers
- Preferred name
- Mls003171246
- IUPAC
- 3,3-dibromo-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
Names & synonyms
MLS0031712463471-04-3DTXSID10320988RefChem:357349DTXCID002721093,3-Dibromo CotinineNSC367598NSC-367598SMR001875150DS-0044652-Pyrrolidinone,3,3-dibromo-1-methyl-5-(3-pyridinyl)-3,3-DIBROMO-1-METHYL-5-(PYRIDIN-3-YL)PYRROLIDIN-2-ONE
Database identifiers
- CAS
3471-04-3- PubChem CID
- 339760
- DTXSID
DTXSID10320988
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
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Related reactions
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Compound notes
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