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

C16H14N2O2 — CID 71119465

IUPAC8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1ccc(-c2[nH]c(=O)c(C#N)c3c2COCC3)cc1
InChIInChI=1S/C16H14N2O2/c1-10-2-4-11(5-3-10)15-14-9-20-7-6-12(14)13(8-17)16(19)18-15/h2-5H,6-7,9H2,1H3,(H,18,19)
InChIKeyBZYACTHMOZHXIW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.29
Rot. Bonds1

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

8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71119465) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID71119465
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1ccc(-c2[nH]c(=O)c(C#N)c3c2COCC3)cc1
InChIInChI=1S/C16H14N2O2/c1-10-2-4-11(5-3-10)15-14-9-20-7-6-12(14)13(8-17)16(19)18-15/h2-5H,6-7,9H2,1H3,(H,18,19)
InChIKeyBZYACTHMOZHXIW-UHFFFAOYSA-N
XLogP2.29
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile (CID 71119465) is 8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile is Cc1ccc(-c2[nH]c(=O)c(C#N)c3c2COCC3)cc1.
What is the InChIKey of 8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is BZYACTHMOZHXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-2-4-11(5-3-10)15-14-9-20-7-6-12(14)13(8-17)16(19)18-15/h2-5H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile?
8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71119465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).