Basic information
- CAS
908287-23-0- Standard SMILES
ON=Cc1c[nH]c2ncnc(Cl)c12- InChIKey
PQQOIYUCJULKAF-UHFFFAOYSA-N- Molecular formula
- C7H5ClN4O
- Average molar mass
- 196.59 g/mol
- Monoisotopic mass
- 196.0151885
Names & identifiers
- Preferred name
- CID 136342890
- IUPAC
- N-[(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methylidene]hydroxylamine
Names & synonyms
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde oxime908287-23-0SCHEMBL156060(E)-N-({4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}METHYLIDENE)HYDROXYLAMINEPQQOIYUCJULKAF-UHFFFAOYSA-NDTXSID701176807DB-2188607H-Pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde, 4-chloro-, oximeN-[(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methylidene]hydroxylamine
Database identifiers
- CAS
908287-23-0- PubChem CID
- 136342890
- DTXSID
DTXSID701176807
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Related reactions
11 records
Compound notes
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