2-propyl-2-pyridin-3-ylpentanenitrile

C13H18N2 — CID 80522522

IUPAC2-propyl-2-pyridin-3-ylpentanenitrile
SMILESCCCC(C#N)(CCC)c1cccnc1
InChIInChI=1S/C13H18N2/c1-3-7-13(11-14,8-4-2)12-6-5-9-15-10-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyYKLHBXPWFPZYJY-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.44
Rot. Bonds5

About 2-propyl-2-pyridin-3-ylpentanenitrile

2-propyl-2-pyridin-3-ylpentanenitrile (PubChem CID 80522522) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-propyl-2-pyridin-3-ylpentanenitrile.

Molecular Properties

Compound Name2-propyl-2-pyridin-3-ylpentanenitrile
PubChem CID80522522
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-propyl-2-pyridin-3-ylpentanenitrile
SMILESCCCC(C#N)(CCC)c1cccnc1
InChIInChI=1S/C13H18N2/c1-3-7-13(11-14,8-4-2)12-6-5-9-15-10-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyYKLHBXPWFPZYJY-UHFFFAOYSA-N
XLogP3.44
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-pyridin-3-ylpentanenitrile?
The IUPAC name of 2-propyl-2-pyridin-3-ylpentanenitrile (CID 80522522) is 2-propyl-2-pyridin-3-ylpentanenitrile.
What is the SMILES notation for 2-propyl-2-pyridin-3-ylpentanenitrile?
The canonical SMILES for 2-propyl-2-pyridin-3-ylpentanenitrile is CCCC(C#N)(CCC)c1cccnc1.
What is the InChIKey of 2-propyl-2-pyridin-3-ylpentanenitrile?
The InChIKey is YKLHBXPWFPZYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-7-13(11-14,8-4-2)12-6-5-9-15-10-12/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2-propyl-2-pyridin-3-ylpentanenitrile?
2-propyl-2-pyridin-3-ylpentanenitrile has a molecular weight of 202.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-pyridin-3-ylpentanenitrile is sourced from PubChem (CID 80522522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).