2-chloro-N-(pyridin-4-yl)acetamide
Basic information
- CAS
80650-46-0- Standard SMILES
O=C(CCl)Nc1ccncc1- InChIKey
IMDDMLBUMBJRQM-UHFFFAOYSA-N- Molecular formula
- C7H7ClN2O
- Average molar mass
- 170.59 g/mol
- Monoisotopic mass
- 170.0246905
Names & identifiers
- Preferred name
- 2-chloro-N-(pyridin-4-yl)acetamide
- IUPAC
- 2-chloro-N-pyridin-4-ylacetamide
- English name
- AcetaMide, 2-chloro-N-4-pyridinyl-
- Molecular formula
- C7H7ClN2O
- Molecular weight
- 170.6
Names & synonyms
2-chloro-N-(pyridin-4-yl)acetamide80650-46-02-Chloro-N-(4-pyridyl)acetamide2-chloro-N-pyridin-4-ylacetamideAcetamide, 2-chloro-N-4-pyridinyl-MFCD009962502-chloro-N-pyridin-4-yl-acetamideSCHEMBL2133754CHEMBL5401331DTXSID20402668IMDDMLBUMBJRQM-UHFFFAOYSA-NAC6855
Show more names
2-Chloro-N-(pyridin-4-yl)2-Chloro-N-4-pyridinylacetamide
AKOS000137469NCGC00661540-01SY022530DB-356016CS-0186622EN300-46255AN-584/82771005F237922
Database identifiers
- CAS
80650-46-0- PubChem CID
- 4382489
- DTXSID
DTXSID20402668- ChEMBL
CHEMBL5401331- Nikkaji
- J2.173.044K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 210 ℃ · 210℃
- Boiling point
- 378 ℃ · 378℃
- Density
- 1.341 · 1.341
- Flash point
- 183 ℃ · 183℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 11.67 · 11.67±0.70(Predicted)
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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