Basic information
- Standard SMILES
COC(=O)Nc1cc(C#Cc2cncc(C#N)c2)ccc1F- InChIKey
BMDGYKJINUGYJK-UHFFFAOYSA-N- Molecular formula
- C16H10FN3O2
- Average molar mass
- 295.27 g/mol
- Monoisotopic mass
- 295.07570473
Names & identifiers
- Preferred name
- [5-(5-Cyanopyridin-3-ylethynyl)-2-fluorophenyl]-carbamic acid methyl ester
- IUPAC
- methyl N-[5-[2-(5-cyano-3-pyridinyl)ethynyl]-2-fluorophenyl]carbamate
Names & synonyms
SCHEMBL1477635BMDGYKJINUGYJK-UHFFFAOYSA-N[5-(5-Cyanopyridin-3-ylethynyl)-2-fluorophenyl]-carbamic acid methyl ester
Database identifiers
- PubChem CID
- 67047862
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 515
Related reactions
1 records
Compound notes
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