Basic information
- Standard SMILES
Cc1ccc(N)c(C#Cc2cccnc2)n1- InChIKey
SBZBJEIGHFTLIR-UHFFFAOYSA-N- Molecular formula
- C13H11N3
- Average molar mass
- 209.25 g/mol
- Monoisotopic mass
- 209.09529736
Names & identifiers
- Preferred name
- (6-Methyl-2-pyridin-3-ylethynyl-pyridin-3-yl)amine
- IUPAC
- 6-methyl-2-(2-pyridin-3-ylethynyl)pyridin-3-amine
Names & synonyms
SCHEMBL3877006CHEMBL3990901SBZBJEIGHFTLIR-UHFFFAOYSA-N(6-methyl-2-pyridin-3-ylethynyl-pyridin-3-yl)amine
Database identifiers
- PubChem CID
- 10353036
- ChEMBL
CHEMBL3990901
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Related reactions
2 records
Compound notes
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