6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile

C15H12N2O2 — CID 71118611

IUPAC6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESN#Cc1c2c(c(-c3ccccc3)[nH]c1=O)COCC2
InChIInChI=1S/C15H12N2O2/c16-8-12-11-6-7-19-9-13(11)14(17-15(12)18)10-4-2-1-3-5-10/h1-5H,6-7,9H2,(H,17,18)
InChIKeyHHTVVHGFUBZHMF-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.99
Rot. Bonds1

About 6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile

6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71118611) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID71118611
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESN#Cc1c2c(c(-c3ccccc3)[nH]c1=O)COCC2
InChIInChI=1S/C15H12N2O2/c16-8-12-11-6-7-19-9-13(11)14(17-15(12)18)10-4-2-1-3-5-10/h1-5H,6-7,9H2,(H,17,18)
InChIKeyHHTVVHGFUBZHMF-UHFFFAOYSA-N
XLogP1.99
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile (CID 71118611) is 6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile is N#Cc1c2c(c(-c3ccccc3)[nH]c1=O)COCC2.
What is the InChIKey of 6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is HHTVVHGFUBZHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-8-12-11-6-7-19-9-13(11)14(17-15(12)18)10-4-2-1-3-5-10/h1-5H,6-7,9H2,(H,17,18).
What are the key properties of 6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile?
6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 252.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-8-phenyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71118611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).