4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile

C8H6N2O2 — CID 84651328

IUPAC4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile
SMILESN#Cc1c[nH]c(=O)c2c1OCC2
InChIInChI=1S/C8H6N2O2/c9-3-5-4-10-8(11)6-1-2-12-7(5)6/h4H,1-2H2,(H,10,11)
InChIKeyNLRYUTRYXDWCKD-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.18
Rot. Bonds

About 4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile

4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile (PubChem CID 84651328) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile
PubChem CID84651328
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile
SMILESN#Cc1c[nH]c(=O)c2c1OCC2
InChIInChI=1S/C8H6N2O2/c9-3-5-4-10-8(11)6-1-2-12-7(5)6/h4H,1-2H2,(H,10,11)
InChIKeyNLRYUTRYXDWCKD-UHFFFAOYSA-N
XLogP0.18
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile?
The IUPAC name of 4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile (CID 84651328) is 4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile.
What is the SMILES notation for 4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile?
The canonical SMILES for 4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile is N#Cc1c[nH]c(=O)c2c1OCC2.
What is the InChIKey of 4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile?
The InChIKey is NLRYUTRYXDWCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c9-3-5-4-10-8(11)6-1-2-12-7(5)6/h4H,1-2H2,(H,10,11).
What are the key properties of 4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile?
4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile has a molecular weight of 162.15 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile is sourced from PubChem (CID 84651328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).