2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile

C15H14N2O2 — CID 116862156

IUPAC2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
SMILESCC(C)c1ccc(-c2cc(=O)[nH]c(O)c2C#N)cc1
InChIInChI=1S/C15H14N2O2/c1-9(2)10-3-5-11(6-4-10)12-7-14(18)17-15(19)13(12)8-16/h3-7,9H,1-2H3,(H2,17,18,19)
InChIKeyOFBYTUSEZCFSBR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.74
Rot. Bonds2

About 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile

2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile (PubChem CID 116862156) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
PubChem CID116862156
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
SMILESCC(C)c1ccc(-c2cc(=O)[nH]c(O)c2C#N)cc1
InChIInChI=1S/C15H14N2O2/c1-9(2)10-3-5-11(6-4-10)12-7-14(18)17-15(19)13(12)8-16/h3-7,9H,1-2H3,(H2,17,18,19)
InChIKeyOFBYTUSEZCFSBR-UHFFFAOYSA-N
XLogP2.74
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 13403846
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 71574198
2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile
CID 116862188
2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
CID 72711414
2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
CID 116862160
2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 116862214
4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862222
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 159463245
2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile
CID 121227406
4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862206
4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862217
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile (CID 116862156) is 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile is CC(C)c1ccc(-c2cc(=O)[nH]c(O)c2C#N)cc1.
What is the InChIKey of 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile?
The InChIKey is OFBYTUSEZCFSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9(2)10-3-5-11(6-4-10)12-7-14(18)17-15(19)13(12)8-16/h3-7,9H,1-2H3,(H2,17,18,19).
What are the key properties of 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile?
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 116862156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).