2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile

C11H14N2 — CID 176958466

IUPAC2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCc1nc(CC(C)C)ccc1C#N
InChIInChI=1S/C11H14N2/c1-8(2)6-11-5-4-10(7-12)9(3)13-11/h4-5,8H,6H2,1-3H3
InChIKeyBZBKETRNHJXCHI-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile

2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile (PubChem CID 176958466) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile
PubChem CID176958466
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCc1nc(CC(C)C)ccc1C#N
InChIInChI=1S/C11H14N2/c1-8(2)6-11-5-4-10(7-12)9(3)13-11/h4-5,8H,6H2,1-3H3
InChIKeyBZBKETRNHJXCHI-UHFFFAOYSA-N
XLogP2.46
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(aminomethyl)-2-methylpyridine-3-carbonitrile
CID 82502522
2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile
CID 139473327
6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile
CID 130560169
2-(2-methylpropyl)benzene-1,4-dicarbonitrile
CID 86195160
6-(4-ethylphenyl)-2-methylpyridine-3-carbonitrile
CID 82452489
tert-butyl 3-(5-cyano-6-methyl-2-pyridinyl)propanoate
CID 68849508
6-(ethylamino)-2-methylpyridine-3-carbonitrile
CID 126981851
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-(3,5-dimethylphenyl)butanamide
CID 23998162
2,3-dimethyl-5-(2-methylpropyl)pyrazine
CID 528108
5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide
CID 61247495
2-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile
CID 1070849
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile (CID 176958466) is 2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile is Cc1nc(CC(C)C)ccc1C#N.
What is the InChIKey of 2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile?
The InChIKey is BZBKETRNHJXCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(2)6-11-5-4-10(7-12)9(3)13-11/h4-5,8H,6H2,1-3H3.
What are the key properties of 2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile?
2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile has a molecular weight of 174.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 176958466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).