Basic information
- CAS
1784281-00-0- Standard SMILES
Cc1cc(C(=O)O)c(F)c(Br)n1- InChIKey
SHWZAHFPDGVUKY-UHFFFAOYSA-N- Molecular formula
- C7H5BrFNO2
- Average molar mass
- 234.02 g/mol
- Monoisotopic mass
- 232.94877
Names & identifiers
- Preferred name
- 2-Bromo-3-fluoro-6-methylpyridine-4-carboxylic acid
- IUPAC
- 2-bromo-3-fluoro-6-methylpyridine-4-carboxylic acid
Names & synonyms
1784281-00-02-Bromo-3-fluoro-6-methylpyridine-4-carboxylic acidRefChem:466286969-753-92-Bromo-3-fluoro-6-methylisonicotinic acidSCHEMBL31320230MFCD28534093H73386
Database identifiers
- CAS
1784281-00-0- PubChem CID
- 84697296
- EC Number
- 969-753-9
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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