Basic information
- CAS
768-45-6- Standard SMILES
Cn1cc(C#N)ccc1=O- InChIKey
XICDFLICODYZJE-UHFFFAOYSA-N- Molecular formula
- C7H6N2O
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.04801282
Names & identifiers
- Preferred name
- 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile
- IUPAC
- 1-methyl-6-oxopyridine-3-carbonitrile
- English name
- 1-Methyl-5-cyanopyridine-2(1H)-one
- Molecular formula
- C7H6N2O
- Molecular weight
- 134.14
Names & synonyms
768-45-61,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile3-Pyridinecarbonitrile, 1,6-dihydro-1-methyl-6-oxo-DTXSID20227611RefChem:1053507DTXCID701501021-Methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile1-methyl-6-oxopyridine-3-carbonitrileNudiflorineMFCD119755001-Methyl-5-cyanopyridine-2(1H)-one1-Methyl-6-oxo-1,6-dihydro-pyridine-3-carbonitrile
Show more names
Nicotinonitrile, 1,6-dihydro-1-methyl-6-oxo-1-Methyl-6-oxo-1,6-dihydronicotinonitrileN-methyl-5-cyano-2-pyridoneSCHEMBL12909926SCHEMBL22836580AAA76845AKOS006345309AT19297
Database identifiers
- CAS
768-45-6- PubChem CID
- 69851
- DTXSID
DTXSID20227611- Nikkaji
- J121.839E
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 161 °C · 161°C
- storage temp.
- 2 · 2-8°C
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P321-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P321-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
DescriptionThis pyridone alkaloid is isomeric with Ricinidine (q.v.) and occurs in the leaf extract of Trewia nudiflora L. It crystallizes as colourless needles from CHCI3- light petroleum. The structure has been shown to be I-methyl-5-cyano-2- pyridone.
Suppliers14 total
杭州品高化工有限公司0571-87658025 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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