2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile

C17H18N2 — CID 72861892

IUPAC2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile
SMILESCc1cc(-c2ccc(C(C)(C)C#N)cc2)cc(C)n1
InChIInChI=1S/C17H18N2/c1-12-9-15(10-13(2)19-12)14-5-7-16(8-6-14)17(3,4)11-18/h5-10H,1-4H3
InChIKeyRHCHWWYKQLLLJI-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.17
Rot. Bonds2

About 2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile

2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile (PubChem CID 72861892) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile
PubChem CID72861892
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile
SMILESCc1cc(-c2ccc(C(C)(C)C#N)cc2)cc(C)n1
InChIInChI=1S/C17H18N2/c1-12-9-15(10-13(2)19-12)14-5-7-16(8-6-14)17(3,4)11-18/h5-10H,1-4H3
InChIKeyRHCHWWYKQLLLJI-UHFFFAOYSA-N
XLogP4.17
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-fluorophenyl)phenyl]-2-methylpropanenitrile
CID 82084297
2-methyl-2-[4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)phenyl]propanenitrile
CID 74238189
2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide
CID 121494417
2-methyl-2-[4-(5-methylthiophen-2-yl)phenyl]propanenitrile;2-methylpropane
CID 164918825
2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile
CID 82091776
2-(4-chloro-3-methylphenyl)-2-methylpropanenitrile
CID 69098681
2-methyl-2-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]propanenitrile
CID 121498391
2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile
CID 82088863
2,6-dimethyl-4-(4-propan-2-ylphenyl)pyridine
CID 176864859
4-(2-cyanopropan-2-yl)benzenesulfonyl chloride
CID 72942871
2-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]-2-methylpropanenitrile
CID 116895284
2-[3-[4-(2-cyanopropan-2-yl)phenyl]phenyl]acetic acid
CID 122569216

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile (CID 72861892) is 2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile is Cc1cc(-c2ccc(C(C)(C)C#N)cc2)cc(C)n1.
What is the InChIKey of 2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile?
The InChIKey is RHCHWWYKQLLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-12-9-15(10-13(2)19-12)14-5-7-16(8-6-14)17(3,4)11-18/h5-10H,1-4H3.
What are the key properties of 2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile?
2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile has a molecular weight of 250.34 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 72861892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).