3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile

C13H18N2 — CID 130337417

IUPAC3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile
SMILESCCC(C)(CC)c1cnc(C#N)c(C)c1
InChIInChI=1S/C13H18N2/c1-5-13(4,6-2)11-7-10(3)12(8-14)15-9-11/h7,9H,5-6H2,1-4H3
InChIKeyXYLYMWFPYGXWSS-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.34
Rot. Bonds3

About 3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile

3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile (PubChem CID 130337417) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile
PubChem CID130337417
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile
SMILESCCC(C)(CC)c1cnc(C#N)c(C)c1
InChIInChI=1S/C13H18N2/c1-5-13(4,6-2)11-7-10(3)12(8-14)15-9-11/h7,9H,5-6H2,1-4H3
InChIKeyXYLYMWFPYGXWSS-UHFFFAOYSA-N
XLogP3.34
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile (CID 130337417) is 3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile is CCC(C)(CC)c1cnc(C#N)c(C)c1.
What is the InChIKey of 3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile?
The InChIKey is XYLYMWFPYGXWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-13(4,6-2)11-7-10(3)12(8-14)15-9-11/h7,9H,5-6H2,1-4H3.
What are the key properties of 3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile?
3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile has a molecular weight of 202.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylpentan-3-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 130337417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).