2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
Basic information
- CAS
60847-68-9- Standard SMILES
COc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N- InChIKey
AZCJARWALWIYCW-UHFFFAOYSA-N- Molecular formula
- C19H14N2O
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.11061307
Names & identifiers
- Preferred name
- 2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
- IUPAC
- 2-methoxy-4,6-diphenylpyridine-3-carbonitrile
- English name
- 3-Cyano-2-methoxy-4,6-diphenylpyridine
- Molecular formula
- C19H14N2O
- Molecular weight
- 286.33
Names & synonyms
2-methoxy-4,6-diphenylpyridine-3-carbonitrile60847-68-93-CYANO-2-METHOXY-4,6-DIPHENYLPYRIDINE2-methoxy-4,6-diphenylnicotinonitrileCHEMBL50857352-Methoxy-4,6-diphenyl-nicotinonitrileCambridge id 5274579TimTec1_001630SCHEMBL22215650DTXSID00350416HMS1538K02BDBM50579944
Show more names
3-Pyridinecarbonitrile, 2-methoxy-4,6-diphenyl-
STK074289AKOS002344792NCGC00174227-01ST020148DB-082284InChI=1/C19H14N2O/c1-22-19-17(13-20)16(14-8-4-2-5-9-14)12-18(21-19)15-10-6-3-7-11-15/h2-12H,1H
Database identifiers
- CAS
60847-68-9- PubChem CID
- 678565
- DTXSID
DTXSID00350416- ChEMBL
CHEMBL5085735- EC Number
- 151-528-4
- Nikkaji
- J277.289B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Compound notes
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