2-(2-Carbamoylphenoxy)pyridine-3-carboxylic acid
Basic information
- CAS
1016691-86-3- Standard SMILES
NC(=O)c1ccccc1Oc1ncccc1C(=O)O- InChIKey
RLPBZHNPAOMDKT-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- 2-(2-Carbamoylphenoxy)pyridine-3-carboxylic acid
- IUPAC
- 2-(2-carbamoylphenoxy)pyridine-3-carboxylic acid
Names & synonyms
2-(2-CARBAMOYLPHENOXY)PYRIDINE-3-CARBOXYLIC ACID1016691-86-3RQB69186AKOS000157316CS-0230208EN300-102749G54255Z711782272-(2-CARBAMOYLPHENOXY)PYRIDINE-3-CARBOXYLICACID
Database identifiers
- CAS
1016691-86-3- PubChem CID
- 20115971
- EC Number
- 172-847-5
- Nikkaji
- J3.161.036B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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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