2,4-Diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenol
Basic information
- CAS
908569-76-6- Standard SMILES
Oc1c(I)cc(I)cc1CNCc1ccccn1- InChIKey
UDFJNMOSBBSXES-UHFFFAOYSA-N- Molecular formula
- C13H12I2N2O
- Average molar mass
- 466.06 g/mol
- Monoisotopic mass
- 465.90391
Names & identifiers
- Preferred name
- 2,4-Diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenol
- IUPAC
- 2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenol
Names & synonyms
SCHEMBL22229887NSC788643NSC-788643908569-76-6
Database identifiers
- CAS
908569-76-6- PubChem CID
- 44514239
- Nikkaji
- J2.369.597I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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