Basic information
- CAS
136562-04-4- Standard SMILES
CCc1cc(C#N)c(=O)[nH]c1C- InChIKey
BVCTUGXGFQOQGO-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931294
Names & identifiers
- Preferred name
- 5-Ethyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
- English name
- 3-Cyano-5-ethhyl-6-methylpyridin-2(1H)-one
- Molecular formula
- C9H10N2O
- Molecular weight
- 162.19
Names & synonyms
136562-04-45-Ethyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrileDTXSID10437126RefChem:303002DTXCID103879505-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile3-cyano-5-ethhyl-6-methylpyridin-2(1H)-3-cyano-5-ethyl-6-methyl-2-(1H)-pyridinoneSCHEMBL9265798BVCTUGXGFQOQGO-UHFFFAOYSA-NAKOS006287861AC-17874
Show more names
3-Cyano-5-ethhyl-6-methylpyridin-2(1H)-one5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-Pyridinecarbonitrile3-Pyridinecarbonitrile, 5-ethyl-1,2-dihydro-6-methyl-2-oxo-
DA-11345CS-01119956-methyl-3-cyano-5-ethylpyridine-2(1h)-one
Database identifiers
- CAS
136562-04-4- PubChem CID
- 10241109
- DTXSID
DTXSID10437126- Nikkaji
- J2.220.178F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Boiling point
- 343.8 · 343.8±35.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 9.4 · 9.40±0.10(Predicted)
Chemistry & industry
Suppliers4 total
赛纳斯特化学（欢迎点击联系）021-60343070
苏州美石生物科技有限公司1173954148q · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
9 records
Compound notes
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