1-(5-chloro-1,8-naphthyridin-2-yl)Ethanone
Basic information
- CAS
488799-77-5- Standard SMILES
CC(=O)c1ccc2c(Cl)ccnc2n1- InChIKey
YDBMGHFASQUINC-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O
- Average molar mass
- 206.63 g/mol
- Monoisotopic mass
- 206.0246905
Names & identifiers
- Preferred name
- 1-(5-chloro-1,8-naphthyridin-2-yl)Ethanone
- IUPAC
- 1-(5-chloro-1,8-naphthyridin-2-yl)ethanone
- English name
- 1-(5-chloro-1,8-naphthyridin-2-yl)Ethanone
- Molecular formula
- C10H7ClN2O
- Molecular weight
- 206.63
Names & synonyms
1-(5-chloro-1,8-naphthyridin-2-yl)Ethanone488799-77-51-(5-chloro-1,8-naphthyridin-2-yl)ethan-1-one1-(5-chloro-[1,8]naphthyridin-2-yl)ethanoneSCHEMBL2649964YDBMGHFASQUINC-UHFFFAOYSA-NDA-05519Ethanone, 1-(5-chloro-1,8-naphthyridin-2-yl)-
Database identifiers
- CAS
488799-77-5- PubChem CID
- 22285334
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 327.5 · 327.5±37.0 °C(Predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- pka
- 1.4 · 1.40±0.30(Predicted)
Related reactions
3 records
Compound notes
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