2-Acetamidopyridine

HCID 72929

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Basic information

CAS: 5231-96-9
Standard SMILES: CC(=O)Nc1ccccn1
InChIKey: QROKOTBWFZITJZ-UHFFFAOYSA-N
Molecular formula: C7H8N2O
Average molar mass: 136.15 g/mol
Monoisotopic mass: 136.06366288

Names & identifiers

Preferred name: 2-Acetamidopyridine
IUPAC: N-pyridin-2-ylacetamide
English name: 2-ACETAMIDOPYRIDINE
Molecular formula: C7H8N2O
Molecular weight: 136.15

Names & synonyms

2-AcetamidopyridineN-2-PyridinylacetamideRefChem:462777684-379-35231-96-9N-(pyridin-2-yl)acetamideN-pyridin-2-ylacetamideN-(2-pyridyl)acetamide2-AcetylaminopyridineAcetamide, N-2-pyridinyl-Acetamide, N-2-pyridyl-N-2-Pyridylacetamide

Show more names

AKOS AU36-M356n-2-pyridyl-acetamidn-2-pyridinyl-acetamid2-Acetamidopyridine >N-pyridin-2-ylethanamide

Pyridine, 2-acetamido-N-(2-Pyridinyl)acetamide158734-80-6MFCD00023423NSC-28291BRN 0113841Ethanimidic acid, N-2-pyridinyl- (9CI)Acetamidopyridine

Database identifiers

CAS: 5231-96-9
PubChem CID: 72929
DTXSID: DTXSID90200335
ChEMBL: CHEMBL12132
UNII: QWK6B4HHE3
EC Number: 684-379-3
Nikkaji: J151.393A

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 42 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 125

Physicochemical properties

Melting point: 69 °C · 69 °C
Boiling point: 148 °C · 148 °C / 13mmHg
Density: 1.176 · 1.176±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 13.82 · 13.82±0.70(Predicted)
Appearance: Off-white to light yellow Solid
CAS DataBase Reference: 5231 · 5231-96-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RTECS: 7859000 · AC7859000
HS Code: 2933399990 · 2933399990