2-pyridin-2-ylbutanenitrile

C9H10N2 — CID 12520509

IUPAC2-pyridin-2-ylbutanenitrile
SMILESCCC(C#N)c1ccccn1
InChIInChI=1S/C9H10N2/c1-2-8(7-10)9-5-3-4-6-11-9/h3-6,8H,2H2,1H3
InChIKeyLPJLBOSAMLFOSV-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.10
Rot. Bonds2

About 2-pyridin-2-ylbutanenitrile

2-pyridin-2-ylbutanenitrile (PubChem CID 12520509) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-pyridin-2-ylbutanenitrile.

Molecular Properties

Compound Name2-pyridin-2-ylbutanenitrile
PubChem CID12520509
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-pyridin-2-ylbutanenitrile
SMILESCCC(C#N)c1ccccn1
InChIInChI=1S/C9H10N2/c1-2-8(7-10)9-5-3-4-6-11-9/h3-6,8H,2H2,1H3
InChIKeyLPJLBOSAMLFOSV-UHFFFAOYSA-N
XLogP2.10
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-pyridin-2-ylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dipyridin-2-ylacetonitrile
CID 14006057
2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile
CID 116913747
ethane;2-pentan-3-ylpyridine
CID 142883968
2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile
CID 79137493
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
ethane;2-phenylbutanenitrile
CID 91343198
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
3-pyridin-2-ylheptanenitrile
CID 70542151
3-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylpropanenitrile
CID 121107553
[(1S)-1-pyridin-2-ylethyl]cyanamide
CID 81401683
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylbutanenitrile?
The IUPAC name of 2-pyridin-2-ylbutanenitrile (CID 12520509) is 2-pyridin-2-ylbutanenitrile.
What is the SMILES notation for 2-pyridin-2-ylbutanenitrile?
The canonical SMILES for 2-pyridin-2-ylbutanenitrile is CCC(C#N)c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylbutanenitrile?
The InChIKey is LPJLBOSAMLFOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-8(7-10)9-5-3-4-6-11-9/h3-6,8H,2H2,1H3.
What are the key properties of 2-pyridin-2-ylbutanenitrile?
2-pyridin-2-ylbutanenitrile has a molecular weight of 146.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylbutanenitrile is sourced from PubChem (CID 12520509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).