6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile

C12H16N2 — CID 154965989

IUPAC6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile
SMILESCCC(C)(C)c1cc(C#N)cnc1C
InChIInChI=1S/C12H16N2/c1-5-12(3,4)11-6-10(7-13)8-14-9(11)2/h6,8H,5H2,1-4H3
InChIKeyJSSBJCYWIZJOHS-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.95
Rot. Bonds2

About 6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile

6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile (PubChem CID 154965989) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile
PubChem CID154965989
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile
SMILESCCC(C)(C)c1cc(C#N)cnc1C
InChIInChI=1S/C12H16N2/c1-5-12(3,4)11-6-10(7-13)8-14-9(11)2/h6,8H,5H2,1-4H3
InChIKeyJSSBJCYWIZJOHS-UHFFFAOYSA-N
XLogP2.95
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
3-hydroxy-4-(2-methylbutan-2-yl)benzonitrile
CID 154951803
ethyl 5-cyano-2-methylpyridine-3-carboxylate
CID 14898892
4-(2-methylbutan-2-yl)benzonitrile
CID 20726493
5,6-diethylpyridine-3-carbonitrile
CID 18177672
N-(5-cyano-2-methyl-3-pyridinyl)acetamide
CID 86280283
5-(2-methylpentan-2-yl)pyridine-3-carbonitrile
CID 130337724
6-bromo-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 73425180
6-methylpyridine-3-carbonitrile;propane
CID 142590874
6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane
CID 171630717
2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
CID 103461768
5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile
CID 171648208

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile (CID 154965989) is 6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile is CCC(C)(C)c1cc(C#N)cnc1C.
What is the InChIKey of 6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
The InChIKey is JSSBJCYWIZJOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-12(3,4)11-6-10(7-13)8-14-9(11)2/h6,8H,5H2,1-4H3.
What are the key properties of 6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile has a molecular weight of 188.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methylbutan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 154965989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).