3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile

C12H8N2O2 — CID 2999156

IUPAC3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
SMILESN#CC(C(=O)c1ccco1)c1ccccn1
InChIInChI=1S/C12H8N2O2/c13-8-9(10-4-1-2-6-14-10)12(15)11-5-3-7-16-11/h1-7,9H
InChIKeyQSDNWEJECKQAQI-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.16
Rot. Bonds3

About 3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile

3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile (PubChem CID 2999156) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
PubChem CID2999156
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
SMILESN#CC(C(=O)c1ccco1)c1ccccn1
InChIInChI=1S/C12H8N2O2/c13-8-9(10-4-1-2-6-14-10)12(15)11-5-3-7-16-11/h1-7,9H
InChIKeyQSDNWEJECKQAQI-UHFFFAOYSA-N
XLogP2.16
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The IUPAC name of 3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile (CID 2999156) is 3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile.
What is the SMILES notation for 3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The canonical SMILES for 3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile is N#CC(C(=O)c1ccco1)c1ccccn1.
What is the InChIKey of 3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The InChIKey is QSDNWEJECKQAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c13-8-9(10-4-1-2-6-14-10)12(15)11-5-3-7-16-11/h1-7,9H.
What are the key properties of 3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile?
3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile has a molecular weight of 212.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 2999156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).