Basic information
- CAS
349403-76-5- Standard SMILES
Cc1ccnc(NC(=O)CCCl)c1- InChIKey
RUMATZJBMCDBOI-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O
- Average molar mass
- 198.65 g/mol
- Monoisotopic mass
- 198.0559907
Names & identifiers
- Preferred name
- 3-chloro-N-(4-methylpyridin-2-yl)propanamide
- IUPAC
- 3-chloro-N-(4-methyl-2-pyridinyl)propanamide
Names & synonyms
3-chloro-N-(4-methylpyridin-2-yl)propanamide3-Chloro-N-(4-methyl-2-pyridinyl)propanamideDTXSID001255979AKOS000216241349403-76-5
Database identifiers
- CAS
349403-76-5- PubChem CID
- 5113560
- DTXSID
DTXSID001255979
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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