2-Bromoacetamidopyridine

HCID 38384

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Basic information

CAS: 40086-66-6
Standard SMILES: O=C(CBr)c1ccccn1
InChIKey: DNPMOGQMEOPVNT-UHFFFAOYSA-N
Molecular formula: C7H6BrNO
Average molar mass: 200.03 g/mol
Monoisotopic mass: 198.96327591

Names & identifiers

Preferred name: 2-Bromoacetamidopyridine
IUPAC: 2-bromo-1-pyridin-2-ylethanone
English name: 2-bromo-1-pyridin-2-yl-ethanone
Molecular formula: C7H6BrNO
Molecular weight: 200.03

Names & synonyms

40086-66-62-BromoacetamidopyridineEthanone, 2-bromo-1-(2-pyridinyl)-DTXSID70193135RefChem:85839DTXCID801156262-bromo-1-(pyridin-2-yl)ethanone2-Bromo-1-(2-pyridyl)ethanone2-bromo-1-pyridin-2-ylethanone2-(Bromoacetyl)pyridine2-Bromo-1-pyridin-2-yl-ethanone2-BROMO-1-(PYRIDIN-2-YL)ETHAN-1-ONE

Show more names

2-Bromo-1-pyridin-2-ylethanon

2-bromoacetylpyridineMFCD062537902-bromo-1-(2-pyridinyl)ethanoneCHEMBL102443bromoacetylpyridineSCHEMBL5048332-Bromo-1-(pyridin-2-yl)SCHEMBL29601127

Database identifiers

CAS: 40086-66-6
PubChem CID: 38384
DTXSID: DTXSID70193135
ChEMBL: CHEMBL102443
Nikkaji: J1.619.457C

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 110 °C · 110 °C(Press: 0.3 Torr)
Density: 1.57 · 1.570±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 2.06 · 2.06±0.10(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H290
Precautionary statements: 501 · P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314-H290
Precautionary statements: P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405