6-Methyl-2-(pyrrolidin-1-yl)pyridine-3-carbonitrile
Basic information
- CAS
1209155-95-2- Standard SMILES
Cc1ccc(C#N)c(N2CCCC2)n1- InChIKey
GABFCISJCPSYJX-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
Names & identifiers
- Preferred name
- 6-Methyl-2-(pyrrolidin-1-yl)pyridine-3-carbonitrile
- IUPAC
- 6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
- English name
- 6-methyl-2-(pyrrolidin-1-yl)nicotinonitrile
- Molecular formula
- C11H13N3
- Molecular weight
- 187.24
Names & synonyms
6-methyl-2-(pyrrolidin-1-yl)pyridine-3-carbonitrile1209155-95-26-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile6-methyl-2-(pyrrolidin-1-yl)nicotinonitrileSCHEMBL15831793JYB15595MFCD13196167SBB081835AKOS004896969VS-12849CS-0251521EN300-55057
Show more names
3-Pyridinecarbonitrile, 6-methyl-2-(1-pyrrolidinyl)-
6-methyl-2-pyrrolidinylpyridine-3-carbonitrileF6657316-methyl-2-pyrrolidin-1-yl-pyridine-3-carbonitrileZ823287652
Database identifiers
- CAS
1209155-95-2
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
- 236
Physicochemical properties
- Boiling point
- 370.1 · 370.1±42.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 4.33 · 4.33±0.29(Predicted)
- 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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