YLW
- Molecular formula
- C6 H2 F2 N2
- Molecular weight (g/mol)
- 140.09
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 2,5-bis(fluoranyl)pyridine-3-carbonitrile
- SMILES
- c1c(cnc(c1C#N)F)F
- Isomeric SMILES
- c1c(cnc(c1C#N)F)F
- InChI
- InChI=1S/C6H2F2N2/c7-5-1-4(2-9)6(8)10-3-5/h1,3H
- InChIKey
- KILHWBMAVSISMG-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 2
- HBD
- 0
- TPSA (Ų)
- 36.68
- cLogP
- 1.23
- Chiral atoms
- 0
- Molar refractivity
- 28.87
- Rings
- 1
- Aromatic rings
- 1
- Fraction Csp³
- 0.0
- Formal charge
- 0
Calculated properties
QED0.508
NPScore-1.327996514
SAScore4.764565879