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

C12H16N2 — CID 130337724

IUPAC5-(2-methylpentan-2-yl)pyridine-3-carbonitrile
SMILESCCCC(C)(C)c1cncc(C#N)c1
InChIInChI=1S/C12H16N2/c1-4-5-12(2,3)11-6-10(7-13)8-14-9-11/h6,8-9H,4-5H2,1-3H3
InChIKeyQRNPHJMTBVOMOV-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.03
Rot. Bonds3

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

5-(2-methylpentan-2-yl)pyridine-3-carbonitrile (PubChem CID 130337724) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-(2-methylpentan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-methylpentan-2-yl)pyridine-3-carbonitrile
PubChem CID130337724
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-(2-methylpentan-2-yl)pyridine-3-carbonitrile
SMILESCCCC(C)(C)c1cncc(C#N)c1
InChIInChI=1S/C12H16N2/c1-4-5-12(2,3)11-6-10(7-13)8-14-9-11/h6,8-9H,4-5H2,1-3H3
InChIKeyQRNPHJMTBVOMOV-UHFFFAOYSA-N
XLogP3.03
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(2-methylpentan-2-yl)pyridine-3-carbonitrile (CID 130337724) is 5-(2-methylpentan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-methylpentan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-methylpentan-2-yl)pyridine-3-carbonitrile is CCCC(C)(C)c1cncc(C#N)c1.
What is the InChIKey of 5-(2-methylpentan-2-yl)pyridine-3-carbonitrile?
The InChIKey is QRNPHJMTBVOMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-5-12(2,3)11-6-10(7-13)8-14-9-11/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 5-(2-methylpentan-2-yl)pyridine-3-carbonitrile?
5-(2-methylpentan-2-yl)pyridine-3-carbonitrile has a molecular weight of 188.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 130337724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).