Basic information
- CAS
53427-97-7- Standard SMILES
O=c1ccccn1-c1ccc([N+](=O)[O-])cc1- InChIKey
GHNIJTDEWVCPBV-UHFFFAOYSA-N- Molecular formula
- C11H8N2O3
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.05349212
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)-1H-pyridin-2-one
- IUPAC
- 1-(4-nitrophenyl)pyridin-2-one
- English name
- 1-(4-Nitro-phenyl)-1H-pyridin-2-one
- Molecular formula
- C11H8N2O3
- Molecular weight
- 216.19
Names & synonyms
53427-97-71-(4-NITROPHENYL)-1H-PYRIDIN-2-ONEDTXSID80436666RefChem:225526DTXCID103874901-(4-nitrophenyl)pyridin-2-one1-(4-nitro-phenyl)-1H-pyridin-2-one1-(4-Nitrophenyl)pyridin-2(1H)-one1-(4-nitrophenyl)-1,2-dihydropyridin-2-oneSCHEMBL85578GHNIJTDEWVCPBV-UHFFFAOYSA-NAKOS025402367
Show more names
Apixaban Impurity 861-(4-nitrophenyl)-2(1H)-Pyridinone2(1H)-Pyridinone, 1-(4-nitrophenyl)-
AC-8467DB-071680CS-01659701-(4-nitrophenyl)pyridin-2(1H)-one? (Apixaban Impurity pound(c)
Database identifiers
- CAS
53427-97-7- PubChem CID
- 10198288
- DTXSID
DTXSID80436666- Nikkaji
- J832.753J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 188 · 188-189 °C(Solv: ethanol (64-17-5))
- Boiling point
- 439.5 · 439.5±37.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- pka
- -0.83 · -0.83±0.23(Predicted)
Chemistry & industry
Suppliers19 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
上海芸联医药科技有限公司13120563767 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
深圳市恒丰万达医药科技有限公司18126517264 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
Related reactions
4 records
Compound notes
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