Basic information
- Standard SMILES
CNc1ccc(C#Cc2c(Cl)ccnc2C)cn1- InChIKey
WMHBMIAEAVMAAV-UHFFFAOYSA-N- Molecular formula
- C14H12ClN3
- Average molar mass
- 257.72 g/mol
Names & identifiers
- Preferred name
- [5-(4-Chloro-2-methyl-pyridin-3-ylethynyl)-pyridin-2-yl]-methyl-amine
- IUPAC
- 5-[2-(4-chloro-2-methyl-3-pyridinyl)ethynyl]-N-methylpyridin-2-amine
Names & synonyms
SCHEMBL7877475WMHBMIAEAVMAAV-UHFFFAOYSA-N[5-(4-Chloro-2-methyl-pyridin-3-ylethynyl)-pyridin-2-yl]-methyl-amine
Database identifiers
- PubChem CID
- 70214860
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
1 records
Compound notes
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