6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile

C9H10N2O2 — CID 23517638

IUPAC6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C9H10N2O2/c1-5-6(2)8(12)11(3)9(13)7(5)4-10/h12H,1-3H3
InChIKeyPPQLILVLUGWSTJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.58
Rot. Bonds

About 6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile

6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 23517638) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile
PubChem CID23517638
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C9H10N2O2/c1-5-6(2)8(12)11(3)9(13)7(5)4-10/h12H,1-3H3
InChIKeyPPQLILVLUGWSTJ-UHFFFAOYSA-N
XLogP0.58
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile (CID 23517638) is 6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is PPQLILVLUGWSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5-6(2)8(12)11(3)9(13)7(5)4-10/h12H,1-3H3.
What are the key properties of 6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile?
6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 23517638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).