6-Bromo-1,2,3,4-tetrahydro-1,7-naphthyridine
Basic information
- CAS
1260666-49-6- Standard SMILES
Brc1cc2c(cn1)NCCC2- InChIKey
ATIUYPQOGGVTSK-UHFFFAOYSA-N- Molecular formula
- C8H9BrN2
- Average molar mass
- 213.07 g/mol
- Monoisotopic mass
- 211.99491
Names & identifiers
- Preferred name
- 6-Bromo-1,2,3,4-tetrahydro-1,7-naphthyridine
- IUPAC
- 6-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine
- English name
- 1,7-Naphthyridine, 6-bromo-1,2,3,4-tetrahydro-
- Molecular formula
- C8H9BrN2
- Molecular weight
- 213.07
Names & synonyms
6-BROMO-1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDINE1260666-49-6SCHEMBL19461279SCHEMBL31248979MFCD18250457AB73033SY384489CS-0136407H358441,7-Naphthyridine, 6-bromo-1,2,3,4-tetrahydro-
Database identifiers
- CAS
1260666-49-6- PubChem CID
- 72213331
- EC Number
- 191-260-5
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 318.1 · 318.1±42.0 °C(Predicted)
- Density
- 1.503 · 1.503±0.06 g/cm3(Predicted)
- pka
- 2.94 · 2.94±0.20(Predicted)
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Compound notes
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