2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile

C9H10N2O2 — CID 72711414

IUPAC2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
SMILESCC(C)c1cc(=O)[nH]c(O)c1C#N
InChIInChI=1S/C9H10N2O2/c1-5(2)6-3-8(12)11-9(13)7(6)4-10/h3,5H,1-2H3,(H2,11,12,13)
InChIKeyWOUMFUOZCKRSCJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.08
Rot. Bonds1

About 2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile

2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 72711414) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
PubChem CID72711414
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
SMILESCC(C)c1cc(=O)[nH]c(O)c1C#N
InChIInChI=1S/C9H10N2O2/c1-5(2)6-3-8(12)11-9(13)7(6)4-10/h3,5H,1-2H3,(H2,11,12,13)
InChIKeyWOUMFUOZCKRSCJ-UHFFFAOYSA-N
XLogP1.08
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile (CID 72711414) is 2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile is CC(C)c1cc(=O)[nH]c(O)c1C#N.
What is the InChIKey of 2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is WOUMFUOZCKRSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5(2)6-3-8(12)11-9(13)7(6)4-10/h3,5H,1-2H3,(H2,11,12,13).
What are the key properties of 2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile?
2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 1.08, 1 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-propan-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 72711414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).