4-(3-chloroanilino)-6-formyl-7H-pyrrolo[2,3-d]pyrimidine

HCID 11097699
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Basic information

Standard SMILES
O=Cc1cc2c(Nc3cccc(Cl)c3)ncnc2[nH]1
InChIKey
BYYLPECJKOEHBV-UHFFFAOYSA-N
Molecular formula
C13H9ClN4O
Average molar mass
272.69 g/mol

Names & identifiers

Preferred name
4-(3-chloroanilino)-6-formyl-7H-pyrrolo[2,3-d]pyrimidine
IUPAC
4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde

Names & synonyms

4-(3-chloroanilino)-6-formyl-7H-pyrrolo[2,3-d]pyrimidine187724-66-9SCHEMBL4769590BYYLPECJKOEHBV-UHFFFAOYSA-NDB-3316084-(3-chloroanilino)-6-formyl-7H-pyrrolo[2,3-d] pyrimidine

Database identifiers

PubChem CID
11097699

Properties

Computed structural properties

XLogP
3
Topological polar surface area
70.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19

Related reactions

12 records
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Compound notes

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