beta-Alanine, N-(2-chloronicotinoyl)-
Basic information
- CAS
76980-22-8- Standard SMILES
O=C(O)CCNC(=O)c1cccnc1Cl- InChIKey
BKNIXAGNUBETPN-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O3
- Average molar mass
- 228.63 g/mol
- Monoisotopic mass
- 228.03016983
Names & identifiers
- Preferred name
- beta-Alanine, N-(2-chloronicotinoyl)-
- IUPAC
- 3-[(2-chloropyridine-3-carbonyl)amino]propanoic acid
Names & synonyms
BRN 5039310beta-ALANINE, N-(2-CHLORONICOTINOYL)-76980-22-8N-(2-Chloronicotinoyl)-gamma-aminopropionic acidRefChem:328914SCHEMBL1520785DTXSID40998250AKOS008987185N-[(2-Chloropyridin-3-yl)(hydroxy)methylidene]-beta-alanine
Database identifiers
- CAS
76980-22-8- PubChem CID
- 53559
- DTXSID
DTXSID40998250- Nikkaji
- J74.977J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…