2-(6-Chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
55100-89-5- Standard SMILES
Cc1cc(Cl)nc2c1ccn2C1OC(CO)C(O)C1O- InChIKey
XLLZAONKYARFBI-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O4
- Average molar mass
- 298.72 g/mol
- Monoisotopic mass
- 298.0720347
Names & identifiers
- Preferred name
- 2-(6-Chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(6-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NSC21327355100-89-5DTXSID40309665NSC-2132731H-Pyrrolo[2, 6-chloro-4-methyl-1-.beta.-D-ribofuranosyl-6-Chloro-4-methyl-1-pentofuranosyl-1H-pyrrolo[2,3-b]pyridine
Database identifiers
- CAS
55100-89-5- PubChem CID
- 310037
- DTXSID
DTXSID40309665
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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