4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one

C7H9NO2 — CID 59693033

IUPAC4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one
SMILES[3H]c1cn(C)c(=O)c(C)c1O
InChIInChI=1S/C7H9NO2/c1-5-6(9)3-4-8(2)7(5)10/h3-4,9H,1-2H3/i3T
InChIKeyRBKFDBPQPZFRHF-WJULDGBESA-N
MW141.16 g/mol
LogP0.40
Rot. Bonds

About 4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one

4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one (PubChem CID 59693033) has the molecular formula C7H9NO2 and a molecular weight of 141.16 g/mol. Its IUPAC name is 4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one
PubChem CID59693033
Molecular FormulaC7H9NO2
Molecular Weight141.16 g/mol
Exact Mass141.07
IUPAC Name4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one
SMILES[3H]c1cn(C)c(=O)c(C)c1O
InChIInChI=1S/C7H9NO2/c1-5-6(9)3-4-8(2)7(5)10/h3-4,9H,1-2H3/i3T
InChIKeyRBKFDBPQPZFRHF-WJULDGBESA-N
XLogP0.40
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one?
The IUPAC name of 4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one (CID 59693033) is 4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one.
What is the SMILES notation for 4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one?
The canonical SMILES for 4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one is [3H]c1cn(C)c(=O)c(C)c1O.
What is the InChIKey of 4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one?
The InChIKey is RBKFDBPQPZFRHF-WJULDGBESA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-6(9)3-4-8(2)7(5)10/h3-4,9H,1-2H3/i3T.
What are the key properties of 4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one?
4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one has a molecular weight of 141.16 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-dimethyl-5-tritiopyridin-2-one is sourced from PubChem (CID 59693033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).