1-(3-Methoxyphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine-3-carbonitrile
Basic information
- CAS
59661-46-0- Standard SMILES
COc1cccc(-n2cc(C#N)c3c(C)cc(C)nc32)c1- InChIKey
YQFVQUKCLMSSHT-UHFFFAOYSA-N- Molecular formula
- C17H15N3O
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.12151211
Names & identifiers
- Preferred name
- 1-(3-Methoxyphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine-3-carbonitrile
- IUPAC
- 1-(3-methoxyphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine-3-carbonitrile
Names & synonyms
59661-46-0NSC2488321-(3-methoxyphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine-3-carbonitrileDTXSID20311988NSC-248832DS-0030461-(3-Methoxyphenyl)-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONITRILE,1-(3-METHOXYPHENYL)-4,6-DIMETHYL-
Database identifiers
- CAS
59661-46-0- PubChem CID
- 317320
- DTXSID
DTXSID20311988
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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