Basic information
- CAS
2097854-25-4- Standard SMILES
CC(C)(C)OC(=O)Nc1cnc(C(=O)O)c(Cl)c1- InChIKey
HNASBLATCWNGGM-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2O4
- Average molar mass
- 272.68 g/mol
- Monoisotopic mass
- 272.0563846
Names & identifiers
- Preferred name
- 5-{[(Tert-butoxy)carbonyl]amino}-3-chloropyridine-2-carboxylic acid
- IUPAC
- 3-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
Names & synonyms
2097854-25-45-{[(tert-butoxy)carbonyl]amino}-3-chloropyridine-2-carboxylic acid5-(((tert-butoxy)carbonyl)amino)-3-chloropyridine-2-carboxylic acidRefChem:528455860-537-9C(C)(C)(C)OC(=O)NC=1C=C(C(=NC=1)C(=O)O)Cl5-{[(tert-butoxy)carbonyl]amino}-3-chloropyridine-2-carboxylicacid3-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid5-((tert-butoxycarbonyl)amino)-3-chloropicolinic acidSCHEMBL18839612DB-397271EN300-6482957
Show more names
Z3333528111
Database identifiers
- CAS
2097854-25-4- PubChem CID
- 129117203
- EC Number
- 860-537-9
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
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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