2-Chloro-1-(pyridin-3-yl)pentan-1-one
Basic information
- CAS
106430-51-7- Standard SMILES
CCCC(Cl)C(=O)c1cccnc1- InChIKey
CGSAGNUPVSURIU-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO
- Average molar mass
- 197.66 g/mol
- Monoisotopic mass
- 197.0607417
Names & identifiers
- Preferred name
- 2-Chloro-1-(pyridin-3-yl)pentan-1-one
- IUPAC
- 2-chloro-1-pyridin-3-ylpentan-1-one
- English name
- 1-Pentanone, 2-chloro-1-(3-pyridinyl)- (9CI)
- Molecular formula
- C10H12ClNO
- Molecular weight
- 197.66
Names & synonyms
106430-51-72-Chloro-1-(pyridin-3-yl)pentan-1-one1-PENTANONE, 2-CHLORO-1-(3-PYRIDINYL)-1-Pentanone, 2-chloro-1-(3-pyridinyl)- (9CI)2-chloro-1-pyridin-3-ylpentan-1-oneDTXSID30545590DB-280050
Database identifiers
- CAS
106430-51-7- PubChem CID
- 13636899
- DTXSID
DTXSID30545590
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Comptox DTXSID
- 30545590 · DTXSID30545590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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