2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile

C16H13N3O2 — CID 71574198

IUPAC2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
SMILESCC(C)c1ccc(-c2c(C#N)c(O)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C16H13N3O2/c1-9(2)10-3-5-11(6-4-10)14-12(7-17)15(20)19-16(21)13(14)8-18/h3-6,9H,1-2H3,(H2,19,20,21)
InChIKeyRAOKCAGOWRIJJM-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.61
Rot. Bonds2

About 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile

2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile (PubChem CID 71574198) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
PubChem CID71574198
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
SMILESCC(C)c1ccc(-c2c(C#N)c(O)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C16H13N3O2/c1-9(2)10-3-5-11(6-4-10)14-12(7-17)15(20)19-16(21)13(14)8-18/h3-6,9H,1-2H3,(H2,19,20,21)
InChIKeyRAOKCAGOWRIJJM-UHFFFAOYSA-N
XLogP2.61
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile (CID 71574198) is 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile is CC(C)c1ccc(-c2c(C#N)c(O)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is RAOKCAGOWRIJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-9(2)10-3-5-11(6-4-10)14-12(7-17)15(20)19-16(21)13(14)8-18/h3-6,9H,1-2H3,(H2,19,20,21).
What are the key properties of 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile?
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 71574198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).