2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile

C13H11N3 — CID 175295270

IUPAC2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile
SMILESCC(C#N)c1ccnc(-c2ccncc2)c1
InChIInChI=1S/C13H11N3/c1-10(9-14)12-4-7-16-13(8-12)11-2-5-15-6-3-11/h2-8,10H,1H3
InChIKeyQWXJUCOYJOXYGK-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.77
Rot. Bonds2

About 2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile

2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile (PubChem CID 175295270) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile.

Molecular Properties

Compound Name2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile
PubChem CID175295270
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile
SMILESCC(C#N)c1ccnc(-c2ccncc2)c1
InChIInChI=1S/C13H11N3/c1-10(9-14)12-4-7-16-13(8-12)11-2-5-15-6-3-11/h2-8,10H,1H3
InChIKeyQWXJUCOYJOXYGK-UHFFFAOYSA-N
XLogP2.77
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile?
The IUPAC name of 2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile (CID 175295270) is 2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile.
What is the SMILES notation for 2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile?
The canonical SMILES for 2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile is CC(C#N)c1ccnc(-c2ccncc2)c1.
What is the InChIKey of 2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile?
The InChIKey is QWXJUCOYJOXYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-10(9-14)12-4-7-16-13(8-12)11-2-5-15-6-3-11/h2-8,10H,1H3.
What are the key properties of 2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile?
2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile has a molecular weight of 209.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile is sourced from PubChem (CID 175295270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).