Basic information
- Standard SMILES
Cn1ccc2c(Nc3ccc(F)c(Cl)c3)ncnc21- InChIKey
WXQKGJUGYBUDMH-UHFFFAOYSA-N- Molecular formula
- C13H10ClFN4
- Average molar mass
- 276.69 g/mol
Names & identifiers
- Preferred name
- N-(3-Chloro-4-fluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
- IUPAC
- N-(3-chloro-4-fluorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
Names & synonyms
N-(3-Chloro-4-fluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine346600-34-8(3-chloro-4-fluoro-phenyl)-(7-methyl-7H-pyrrolo (2,3-d]pyrimidin-4-yl)-amine(3-chloro-4-fluoro-phenyl)-(7-methyl-7H-pyrrolo [2,3-d]pyrimidin-4-yl)-amine(3-chloro-4-fluoro-phenyl)-(7-methyl-7H-pyrrolo(2,3-d]pyrimidin-4-yl)-amine(3-chloro-4-fluoro-phenyl)-(7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amineSCHEMBL6219993WXQKGJUGYBUDMH-UHFFFAOYSA-NAKOS022189634N-(3-chloro-4-fluorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 22390983
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Related reactions
4 records
Compound notes
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