6-Chloro-3-cyanopicolinic acid
Basic information
- CAS
1256786-84-1- Standard SMILES
N#Cc1ccc(Cl)nc1C(=O)O- InChIKey
CUBILUUJPWXTPJ-UHFFFAOYSA-N- Molecular formula
- C7H3ClN2O2
- Average molar mass
- 182.56 g/mol
- Monoisotopic mass
- 181.988305
Names & identifiers
- Preferred name
- 6-Chloro-3-cyanopicolinic acid
- IUPAC
- 6-chloro-3-cyanopyridine-2-carboxylic acid
- English name
- 6-Chloro-3-cyano-pyridine-2-carboxylic acid
- Molecular formula
- C7H3ClN2O2
- Molecular weight
- 182.56
Names & synonyms
6-Chloro-3-cyanopicolinic acid1256786-84-16-Chloro-3-cyano-pyridine-2-carboxylic acid2-Pyridinecarboxylic acid, 6-chloro-3-cyano-6-Chloro-3-cyanopicolinicacidDTXSID401259416MFCD18260038SB550756-Chloro-3-cyanopyridine-2-carboxylic acidH60815
Database identifiers
- CAS
1256786-84-1- PubChem CID
- 97181784
- DTXSID
DTXSID401259416
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 384.8 · 384.8±42.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 2.21 · 2.21±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…