6-(4-Methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
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Basic information
- CAS
147269-06-5- Standard SMILES
COc1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1- InChIKey
YJDWXUFFZLKITF-UHFFFAOYSA-N- Molecular formula
- C13H10N2O2
- Average molar mass
- 226.23 g/mol
Names & identifiers
- Preferred name
- 6-(4-Methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
- English name
- 6-(4-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
- Molecular formula
- C13H10N2O2
- Molecular weight
- 226.23
Names & synonyms
147269-06-56-(4-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile6-(4-methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrileMFCD00215116F3250-0671Bionet2_000348Oprea1_092340Oprea1_270685SCHEMBL7260450HMS1364P18SMSSF-0536369
Show more names
2-hydroxy-6-(4-methoxyphenyl)pyridine-3-carbonitrile3-Pyridinecarbonitrile, 1,2-dihydro-6-(4-methoxyphenyl)-2-oxo-
XFA26906AKOS001329372AKOS002303419CCG-10791511H-315SCS-0241649ST50210409VU0417685-2
Database identifiers
- CAS
147269-06-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Boiling point
- 466.3 · 466.3±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 7.83 · 7.83±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
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Compound notes
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