5-acetylfuro[2,3-c]pyridine-7-carbonitrile

C10H6N2O2 — CID 130056722

IUPAC5-acetylfuro[2,3-c]pyridine-7-carbonitrile
SMILESCC(=O)c1cc2ccoc2c(C#N)n1
InChIInChI=1S/C10H6N2O2/c1-6(13)8-4-7-2-3-14-10(7)9(5-11)12-8/h2-4H,1H3
InChIKeyBDJJAYDQFDIKGJ-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.90
Rot. Bonds1

About 5-acetylfuro[2,3-c]pyridine-7-carbonitrile

5-acetylfuro[2,3-c]pyridine-7-carbonitrile (PubChem CID 130056722) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 5-acetylfuro[2,3-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name5-acetylfuro[2,3-c]pyridine-7-carbonitrile
PubChem CID130056722
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name5-acetylfuro[2,3-c]pyridine-7-carbonitrile
SMILESCC(=O)c1cc2ccoc2c(C#N)n1
InChIInChI=1S/C10H6N2O2/c1-6(13)8-4-7-2-3-14-10(7)9(5-11)12-8/h2-4H,1H3
InChIKeyBDJJAYDQFDIKGJ-UHFFFAOYSA-N
XLogP1.90
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetylfuro[2,3-c]pyridine-7-carbonitrile?
The IUPAC name of 5-acetylfuro[2,3-c]pyridine-7-carbonitrile (CID 130056722) is 5-acetylfuro[2,3-c]pyridine-7-carbonitrile.
What is the SMILES notation for 5-acetylfuro[2,3-c]pyridine-7-carbonitrile?
The canonical SMILES for 5-acetylfuro[2,3-c]pyridine-7-carbonitrile is CC(=O)c1cc2ccoc2c(C#N)n1.
What is the InChIKey of 5-acetylfuro[2,3-c]pyridine-7-carbonitrile?
The InChIKey is BDJJAYDQFDIKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c1-6(13)8-4-7-2-3-14-10(7)9(5-11)12-8/h2-4H,1H3.
What are the key properties of 5-acetylfuro[2,3-c]pyridine-7-carbonitrile?
5-acetylfuro[2,3-c]pyridine-7-carbonitrile has a molecular weight of 186.17 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetylfuro[2,3-c]pyridine-7-carbonitrile is sourced from PubChem (CID 130056722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).