4-(Dimethylamino)-2-[2-({[(3-fluorophenyl)methoxy]imino}methyl)-1H-pyrrol-1-yl]pyridine-3-carbonitrile
Basic information
- CAS
303986-43-8- Standard SMILES
CN(C)c1ccnc(-n2cccc2C=NOCc2cccc(F)c2)c1C#N- InChIKey
MIZNXZZZCKYEEO-UHFFFAOYSA-N- Molecular formula
- C20H18FN5O
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.14953838
Names & identifiers
- Preferred name
- 4-(Dimethylamino)-2-[2-({[(3-fluorophenyl)methoxy]imino}methyl)-1H-pyrrol-1-yl]pyridine-3-carbonitrile
- IUPAC
- 4-(dimethylamino)-2-[2-[(3-fluorophenyl)methoxyiminomethyl]pyrrol-1-yl]pyridine-3-carbonitrile
- English name
- 4-(Dimethylamino)-2-[2-(([(3-fluorobenzyl)oxy]imino)methyl)-1H-pyrrol-1-yl]nicotinonitrile
- Molecular formula
- C20H18FN5O
- Molecular weight
- 363.39
Names & synonyms
Bionet1_002858DTXSID501112508HMS2310A20AKOS0302436614-(Dimethylamino)-2-[2-({[(3-fluorophenyl)methoxy]imino}methyl)-1H-pyrrol-1-yl]pyridine-3-carbonitrile4-(Dimethylamino)-2-[2-[[[(3-fluorophenyl)methoxy]imino]methyl]-1H-pyrrol-1-yl]-3-pyridinecarbonitrile4-(Dimethylamino)-2-[2-(([(3-fluorobenzyl)oxy]imino)methyl)-1H-pyrrol-1-yl]nicotinonitrile3-Pyridinecarbonitrile, 4-(dimethylamino)-2-[2-[[[(3-fluorophenyl)methoxy]imino]methyl]-1H-pyrrol-1-yl]-
Database identifiers
- CAS
303986-43-8- PubChem CID
- 2767589
- DTXSID
DTXSID501112508
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 548
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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