V06
- Molecular formula
- C5 H5 Br N2
- Molecular weight (g/mol)
- 173.01
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 3-bromopyridin-4-amine
- SMILES
- c1cncc(c1N)Br
- Isomeric SMILES
- c1cncc(c1N)Br
- InChI
- InChI=1S/C5H5BrN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
- InChIKey
- DDQYSZWFFXOXER-UHFFFAOYSA-N
- CAS
- 13534-98-0
Chemical & physical properties
- HBA
- 2
- HBD
- 1
- TPSA (Ų)
- 38.91
- cLogP
- 1.43
- Chiral atoms
- 0
- Molar refractivity
- 36.35
- Rings
- 1
- Aromatic rings
- 1
- Fraction Csp³
- 0.0
- Formal charge
- 0
Calculated properties
QED0.644
NPScore-0.270966196
SAScore6.579546044