2-Pyridinecarboxylic acid, 5-(4-bromobutyl)-
Basic information
- CAS
49751-48-6- Standard SMILES
O=C(O)c1ccc(CCCCBr)cn1- InChIKey
ITLZIXOWINHSPZ-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO2
- Average molar mass
- 258.11 g/mol
- Monoisotopic mass
- 257.00514
Names & identifiers
- Preferred name
- 2-Pyridinecarboxylic acid, 5-(4-bromobutyl)-
- IUPAC
- 5-(4-bromobutyl)pyridine-2-carboxylic acid
Names & synonyms
5-(4-Bromobutyl)picolinic acid49751-48-62-Pyridinecarboxylic acid, 5-(4-bromobutyl)-5-(4-Bromobutyl)-2-pyridinecarboxylic acidDTXSID40198016RefChem:266619DTXCID701205075-(4-bromobutyl)pyridine-2-carboxylic acidSCHEMBL10930349
Database identifiers
- CAS
49751-48-6- PubChem CID
- 206362
- DTXSID
DTXSID40198016
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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