2-methyl-2-pyridin-2-ylpropanenitrile

C9H10N2 — CID 12904677

IUPAC2-methyl-2-pyridin-2-ylpropanenitrile
SMILESCC(C)(C#N)c1ccccn1
InChIInChI=1S/C9H10N2/c1-9(2,7-10)8-5-3-4-6-11-8/h3-6H,1-2H3
InChIKeySYILGDLWTPODQG-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.88
Rot. Bonds1

About 2-methyl-2-pyridin-2-ylpropanenitrile

2-methyl-2-pyridin-2-ylpropanenitrile (PubChem CID 12904677) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-methyl-2-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name2-methyl-2-pyridin-2-ylpropanenitrile
PubChem CID12904677
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-methyl-2-pyridin-2-ylpropanenitrile
SMILESCC(C)(C#N)c1ccccn1
InChIInChI=1S/C9H10N2/c1-9(2,7-10)8-5-3-4-6-11-8/h3-6H,1-2H3
InChIKeySYILGDLWTPODQG-UHFFFAOYSA-N
XLogP1.88
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyridin-2-ylpropanenitrile?
The IUPAC name of 2-methyl-2-pyridin-2-ylpropanenitrile (CID 12904677) is 2-methyl-2-pyridin-2-ylpropanenitrile.
What is the SMILES notation for 2-methyl-2-pyridin-2-ylpropanenitrile?
The canonical SMILES for 2-methyl-2-pyridin-2-ylpropanenitrile is CC(C)(C#N)c1ccccn1.
What is the InChIKey of 2-methyl-2-pyridin-2-ylpropanenitrile?
The InChIKey is SYILGDLWTPODQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-9(2,7-10)8-5-3-4-6-11-8/h3-6H,1-2H3.
What are the key properties of 2-methyl-2-pyridin-2-ylpropanenitrile?
2-methyl-2-pyridin-2-ylpropanenitrile has a molecular weight of 146.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 12904677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).