2-(Piperidin-1-yl)isonicotinonitrile
Basic information
- CAS
127680-89-1- Standard SMILES
N#Cc1ccnc(N2CCCCC2)c1- InChIKey
RCMZEWFYJLACAL-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.11094743
Names & identifiers
- Preferred name
- 2-(Piperidin-1-yl)isonicotinonitrile
- IUPAC
- 2-piperidin-1-ylpyridine-4-carbonitrile
- English name
- 2-Piperidin-1-ylisonicotinonitrile
- Molecular formula
- C11H13N3
- Molecular weight
- 187.24
Names & synonyms
127680-89-12-(Piperidin-1-yl)isonicotinonitrile2-Piperidinoisonicotinonitrile2-(piperidin-1-yl)pyridine-4-carbonitrile2-piperidin-1-ylpyridine-4-carbonitrileMFCD062009922-piperidin-1-ylisonicotinonitrile2-(1-Piperidyl)pyridine-4-carbonitrile4-Pyridinecarbonitrile, 2-(1-piperidinyl)-A1AX4orb3031314SCHEMBL27920876
Show more names
[4-(3-thiophenyl)phenyl]methanamine2-Piperidin-1-ylisonicotinonitrile 97%2-(Piperidin-1-yl)isonicotinonitrile97%2-(Piperidin-1-yl)pyridine-4-carbonitrile, 4-Cyano-2-(piperidin-1-yl)pyridine
DTXSID003330022-piperidylpyridine-4-carbonitrileFr12580CFA68089SBB090616STL124259AKOS000175637SB41465
Database identifiers
- CAS
127680-89-1- PubChem CID
- 477653
- DTXSID
DTXSID00333002
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 55 °C · 55 °C
- Boiling point
- 153 °C · 153 °C
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.31 · 5.31±0.27(Predicted)
- form
- low melting solid
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Note
- Harmful
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
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Related reactions
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Compound notes
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