2-Chloro-N-pyridin-2-yl-acetamide

HCID 289435

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5221-37-4
Standard SMILES: O=C(CCl)Nc1ccccn1
InChIKey: JJMRJPAPJCFDAM-UHFFFAOYSA-N
Molecular formula: C7H7ClN2O
Average molar mass: 170.59 g/mol
Monoisotopic mass: 170.0246905

Names & identifiers

Preferred name: 2-Chloro-N-pyridin-2-yl-acetamide
IUPAC: 2-chloro-N-pyridin-2-ylacetamide
English name: 2-CHLORO-N-PYRIDIN-2-YL-ACETAMIDE
Molecular formula: C7H7ClN2O
Molecular weight: 170.6

Names & synonyms

2-Chloro-N-pyridin-2-yl-acetamideDTXSID50302480RefChem:1062834DTXCID402536142-chloro-N-pyridin-2-ylacetamide5221-37-42-chloro-N-(pyridin-2-yl)acetamide2-chloro-N-(2-pyridyl)acetamideMFCD000234262-chloro-N-(2-pyridinyl)acetamide2-(chloroacetylamino)pyridineN-(2-pyridinyl)-2-chloroacetamide

Show more names

AKOS B015665AKOS BBS-00004069ART-CHEM-BB B015665TIMTEC-BB SBB000164Acetamide, 2-chloro-N-2-pyridinyl-2-chloro-N-pyridin-2-yl-ethanamide

NSC151214chloroacetamidopyridine2-(Chloroacetamido)pyridineN-(2-pyridyl)chloroacetamideCHEMBL12605SCHEMBL318557n-(pyrid-2-yl)-chloroacetamideSCHEMBL30440440

Database identifiers

CAS: 5221-37-4
PubChem CID: 289435
DTXSID: DTXSID50302480
ChEMBL: CHEMBL12605
EC Number: 118-609-6
Nikkaji: J2.173.046G

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 42 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 140

Physicochemical properties

Melting point: 110 °C · 110 °C
Boiling point: 378.1 · 378.1±22.0 °C(Predicted)
Density: 1.341 · 1.341±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 11.59 · 11.59±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313