Basic information
- Standard SMILES
COc1cc2cc(CO)c(CO)c(-c3ccnc(Br)c3)c2cc1OC- InChIKey
ZIFYCOQRDIDBMN-UHFFFAOYSA-N- Molecular formula
- C19H18BrNO4
- Average molar mass
- 404.3 g/mol
Names & identifiers
- Preferred name
- 1-(2-Bromo-4-pyridyl)-2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalene
- IUPAC
- [4-(2-bromo-4-pyridinyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol
Names & synonyms
SCHEMBL7746637ZIFYCOQRDIDBMN-UHFFFAOYSA-N1-(2-bromo-4-pyridyl)-2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalene
Database identifiers
- PubChem CID
- 10692560
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 426
Related reactions
12 records
Compound notes
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