4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile
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Basic information
- CAS
223270-46-0- Standard SMILES
Cc1cc(C)c(C#N)c(C(C)C)n1- InChIKey
GGRKPLKTGKOKMT-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569846
Names & identifiers
- Preferred name
- 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile
- IUPAC
- 4,6-dimethyl-2-propan-2-ylpyridine-3-carbonitrile
- English name
- 3-Pyridinecarbonitrile,4,6-dimethyl-2-(1-methylethyl)-(9CI)
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
SCHEMBL121418794,6-dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrileInChI=1/C11H14N2/c1-7(2)11-10(6-12)8(3)5-9(4)13-11/h5,7H,1-4H3-Pyridinecarbonitrile, 4,6-dimethyl-2-(1-methylethyl)-3-Pyridinecarbonitrile,4,6-dimethyl-2-(1-methylethyl)-(9CI)
Database identifiers
- CAS
223270-46-0- PubChem CID
- 5323797
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 282.3 · 282.3±28.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- pka
- 3.76 · 3.76±0.18(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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