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

C12H16N2 — CID 139473327

IUPAC2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile
SMILESCc1nc(C(C)C(C)C)ccc1C#N
InChIInChI=1S/C12H16N2/c1-8(2)9(3)12-6-5-11(7-13)10(4)14-12/h5-6,8-9H,1-4H3
InChIKeyJKRPDRBKECMLOU-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.02
Rot. Bonds2

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

2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile (PubChem CID 139473327) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile
PubChem CID139473327
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile
SMILESCc1nc(C(C)C(C)C)ccc1C#N
InChIInChI=1S/C12H16N2/c1-8(2)9(3)12-6-5-11(7-13)10(4)14-12/h5-6,8-9H,1-4H3
InChIKeyJKRPDRBKECMLOU-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile (CID 139473327) is 2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile is Cc1nc(C(C)C(C)C)ccc1C#N.
What is the InChIKey of 2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile?
The InChIKey is JKRPDRBKECMLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8(2)9(3)12-6-5-11(7-13)10(4)14-12/h5-6,8-9H,1-4H3.
What are the key properties of 2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile?
2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile has a molecular weight of 188.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 139473327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).