potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one

C7H8KNO2 — CID 59693032

IUPACpotassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one
SMILES[3H]c1[c-]n(C)c(=O)c(C)c1O.[K+]
InChIInChI=1S/C7H8NO2.K/c1-5-6(9)3-4-8(2)7(5)10;/h3,9H,1-2H3;/q-1;+1/i3T;
InChIKeyHBNPYKLSBBCIQL-ULNHYWIVSA-N
MW179.25 g/mol
LogP-2.80
Rot. Bonds

About potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one

potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one (PubChem CID 59693032) has the molecular formula C7H8KNO2 and a molecular weight of 179.25 g/mol. Its IUPAC name is potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one.

Molecular Properties

Compound Namepotassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one
PubChem CID59693032
Molecular FormulaC7H8KNO2
Molecular Weight179.25 g/mol
Exact Mass179.03
IUPAC Namepotassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one
SMILES[3H]c1[c-]n(C)c(=O)c(C)c1O.[K+]
InChIInChI=1S/C7H8NO2.K/c1-5-6(9)3-4-8(2)7(5)10;/h3,9H,1-2H3;/q-1;+1/i3T;
InChIKeyHBNPYKLSBBCIQL-ULNHYWIVSA-N
XLogP-2.80
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 5-2.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one?
The IUPAC name of potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one (CID 59693032) is potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one.
What is the SMILES notation for potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one?
The canonical SMILES for potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one is [3H]c1[c-]n(C)c(=O)c(C)c1O.[K+].
What is the InChIKey of potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one?
The InChIKey is HBNPYKLSBBCIQL-ULNHYWIVSA-N. The full InChI is InChI=1S/C7H8NO2.K/c1-5-6(9)3-4-8(2)7(5)10;/h3,9H,1-2H3;/q-1;+1/i3T;.
What are the key properties of potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one?
potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one has a molecular weight of 179.25 g/mol, XLogP of -2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-hydroxy-1,5-dimethyl-3-tritio-2H-pyridin-2-id-6-one is sourced from PubChem (CID 59693032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).