4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile

C17H10N2O3 — CID 2816448

IUPAC4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)c2c([nH]c1=O)-c1ccccc1OC2
InChIInChI=1S/C17H10N2O3/c18-8-11-15(14-6-3-7-21-14)12-9-22-13-5-2-1-4-10(13)16(12)19-17(11)20/h1-7H,9H2,(H,19,20)
InChIKeyGTSPSVVCPHXKLT-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.07
Rot. Bonds1

About 4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile

4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile (PubChem CID 2816448) has the molecular formula C17H10N2O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
PubChem CID2816448
Molecular FormulaC17H10N2O3
Molecular Weight290.28 g/mol
Exact Mass290.07
IUPAC Name4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)c2c([nH]c1=O)-c1ccccc1OC2
InChIInChI=1S/C17H10N2O3/c18-8-11-15(14-6-3-7-21-14)12-9-22-13-5-2-1-4-10(13)16(12)19-17(11)20/h1-7H,9H2,(H,19,20)
InChIKeyGTSPSVVCPHXKLT-UHFFFAOYSA-N
XLogP3.07
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile (CID 2816448) is 4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile is N#Cc1c(-c2ccco2)c2c([nH]c1=O)-c1ccccc1OC2.
What is the InChIKey of 4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
The InChIKey is GTSPSVVCPHXKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3/c18-8-11-15(14-6-3-7-21-14)12-9-22-13-5-2-1-4-10(13)16(12)19-17(11)20/h1-7H,9H2,(H,19,20).
What are the key properties of 4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile has a molecular weight of 290.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 2816448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).