2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
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Basic information
- CAS
21760-76-9- Standard SMILES
Cc1cc(Cl)nc2[nH]cc(CC(N)C(=O)O)c12- InChIKey
PPHXPZMIUIDJKV-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O2
- Average molar mass
- 253.68 g/mol
Names & identifiers
- Preferred name
- 2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
- IUPAC
- 2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
- English name
- 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, a-aMino-6-chloro-4-Methyl-
- Molecular formula
- C11H12ClN3O2
- Molecular weight
- 253.68
Names & synonyms
21760-76-92-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid1071754-70-5SCHEMBL52961271H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, a-amino-6-chloro-4-methyl-, (aS)-1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, a-amino-6-chloro-4-methyl-1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid,a-amino-6-chloro-4-methyl-CS-0004821D72446PPHXPZMIUIDJKV-UHFFFAOYSA-N1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, α-amino-6-chloro-4-methyl-
Database identifiers
- CAS
21760-76-9
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 547 · 547.0±50.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 2.2 · 2.20±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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