Basic information
- CAS
313376-01-1- Standard SMILES
O=C(Nc1ccccn1)c1cncc(Br)c1- InChIKey
UZKASTWAQNSTBX-UHFFFAOYSA-N- Molecular formula
- C11H8BrN3O
- Average molar mass
- 278.1 g/mol
- Monoisotopic mass
- 276.98507
Names & identifiers
- Preferred name
- 5-Bromo-N-(2-pyridinyl)nicotinamide
- IUPAC
- 5-bromo-N-pyridin-2-ylpyridine-3-carboxamide
Names & synonyms
Oprea1_669868CHEMBL181563SCHEMBL28697902AKOS001293383DB-2130855-BROMO-N-(2-PYRIDINYL)NICOTINAMIDE5-Bromo-N-2-pyridinyl-3-pyridinecarboxamideZ85525432313376-01-1
Database identifiers
- CAS
313376-01-1- PubChem CID
- 3929904
- ChEMBL
CHEMBL181563- EC Number
- 106-182-9
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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