6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

C10H6N2O2 — CID 2747088

IUPAC6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C10H6N2O2/c11-6-7-3-4-8(12-10(7)13)9-2-1-5-14-9/h1-5H,(H,12,13)
InChIKeyPQKKNEIVRPZRNA-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.51
Rot. Bonds1

About 6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 2747088) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID2747088
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C10H6N2O2/c11-6-7-3-4-8(12-10(7)13)9-2-1-5-14-9/h1-5H,(H,12,13)
InChIKeyPQKKNEIVRPZRNA-UHFFFAOYSA-N
XLogP1.51
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 2747088) is 6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is PQKKNEIVRPZRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c11-6-7-3-4-8(12-10(7)13)9-2-1-5-14-9/h1-5H,(H,12,13).
What are the key properties of 6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 186.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2747088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).