Basic information
- Standard SMILES
Clc1ncc(Br)c(-c2cc3ccncc3s2)n1- InChIKey
BVJSDWADGQHLEW-UHFFFAOYSA-N- Molecular formula
- C11H5BrClN3S
- Average molar mass
- 326.6 g/mol
- Monoisotopic mass
- 324.90761
Names & identifiers
- Preferred name
- 2-(5-Bromo-2-chloropyrimidin-4-yl)thieno[2,3-c]pyridine
- IUPAC
- 2-(5-bromo-2-chloropyrimidin-4-yl)thieno[2,3-c]pyridine
Names & synonyms
893442-36-9SCHEMBL2985245BVJSDWADGQHLEW-UHFFFAOYSA-NDB-2022512-(5-Bromo-2-chloro-4-pyrimidinyl)-thieno[2,3-c]pyridine2-(5-bromo-2-chloropyrimidin-4-yl)thieno[2,3-c]pyridine
Database identifiers
- PubChem CID
- 57428872
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
6 records
Compound notes
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