2-Amino-3-(6-bromopyridin-2-yl)propanoic acid

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Basic information

CAS: 32918-50-6
Standard SMILES: NC(Cc1cccc(Br)n1)C(=O)O
InChIKey: CCVXIWMDCITFKM-UHFFFAOYSA-N
Molecular formula: C8H9BrN2O2
Average molar mass: 245.07 g/mol
Monoisotopic mass: 243.98474

Names & identifiers

Preferred name: 2-Amino-3-(6-bromopyridin-2-yl)propanoic acid
IUPAC: 2-amino-3-(6-bromo-2-pyridinyl)propanoic acid

Names & synonyms

2-amino-3-(6-bromopyridin-2-yl)propanoic acid32918-50-6SCHEMBL52833273-(6-Bromopyridin-2-yl)alanineDTXSID301241763MFCD09915144SY524160EN300-18954372-Pyridinepropionic acid, I+/--amino-6-bromo-, DL-

Database identifiers

CAS: 32918-50-6
PubChem CID: 22326273
DTXSID: DTXSID301241763

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 76.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 189

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Compound notes

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