Completing data — usually done within a minute
Basic information
- CAS
37642-33-4- Standard SMILES
O=C(O)c1ccc(CCC(Br)CBr)cn1- InChIKey
BHLDVPHVPKRBFM-UHFFFAOYSA-N- Molecular formula
- C10H11Br2NO2
- Average molar mass
- 337.01 g/mol
- Monoisotopic mass
- 334.91565279
Names & identifiers
- Preferred name
- 5-(3,4-Dibromobutyl)pyridine-2-carboxylic acid
- IUPAC
- 5-(3,4-dibromobutyl)pyridine-2-carboxylic acid
Names & synonyms
5-(3,4-dibromobutyl)pyridine-2-carboxylic acid37642-33-4DTXSID80958691RefChem:1072415DTXCID1013865895-(3,4-Dibromobutyl)picolinic acid5-(3,4-Dibromobutyl)-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 5-(3,4-dibromobutyl)-SCHEMBL6339789BHLDVPHVPKRBFM-UHFFFAOYSA-N
Database identifiers
- CAS
37642-33-4- PubChem CID
- 216720
- DTXSID
DTXSID80958691- Nikkaji
- J395.516H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Related reactions
7 records
Compound notes
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