2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile

C11H14N2 — CID 127013942

IUPAC2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile
SMILESCc1cnc(C(C)(C)C#N)c(C)c1
InChIInChI=1S/C11H14N2/c1-8-5-9(2)10(13-6-8)11(3,4)7-12/h5-6H,1-4H3
InChIKeyYMDSZZXZUMNFNP-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.50
Rot. Bonds1

About 2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile

2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile (PubChem CID 127013942) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile
PubChem CID127013942
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile
SMILESCc1cnc(C(C)(C)C#N)c(C)c1
InChIInChI=1S/C11H14N2/c1-8-5-9(2)10(13-6-8)11(3,4)7-12/h5-6H,1-4H3
InChIKeyYMDSZZXZUMNFNP-UHFFFAOYSA-N
XLogP2.50
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(3-methyl-2-pyridinyl)propanenitrile
CID 53485450
2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile
CID 130327045
2-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)-3,5-dimethylpyridine
CID 11102269
2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097280
2-methanidyl-3,5-dimethylpyridine;yttrium
CID 59928704
carbanide;2,3,5-trimethylpyridine;yttrium
CID 161357475
2-tert-butyl-3-isocyanato-5-methylpyridine
CID 83915454
2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
CID 116880587
2-methyl-2-(3-methyl-4-pyridinyl)propanenitrile
CID 130544380
3-fluoro-5-methyl-2-(trifluoromethyl)pyridine
CID 23568437
(2S)-2-amino-2-(2,4,6-trimethylphenyl)propanenitrile
CID 30115564
2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine
CID 175679349

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile?
The IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile (CID 127013942) is 2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile is Cc1cnc(C(C)(C)C#N)c(C)c1.
What is the InChIKey of 2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile?
The InChIKey is YMDSZZXZUMNFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-5-9(2)10(13-6-8)11(3,4)7-12/h5-6H,1-4H3.
What are the key properties of 2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile?
2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile has a molecular weight of 174.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile is sourced from PubChem (CID 127013942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).