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Deferiprone

C7H9NO2 — CID 2972

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-hydroxy-1,2-dimethylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C
InChIInChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3
InChIKeyTZXKOCQBRNJULO-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.40
Rot. Bonds

About Deferiprone

Deferiprone (PubChem CID 2972) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-hydroxy-1,2-dimethylpyridin-4-one.

Molecular Properties

Compound NameDeferiprone
PubChem CID2972
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-hydroxy-1,2-dimethylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C
InChIInChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3
InChIKeyTZXKOCQBRNJULO-UHFFFAOYSA-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 ≤ 500139.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of Deferiprone?
The IUPAC name of Deferiprone (CID 2972) is 3-hydroxy-1,2-dimethylpyridin-4-one.
What is the SMILES notation for Deferiprone?
The canonical SMILES for Deferiprone is Cc1c(O)c(=O)ccn1C.
What is the InChIKey of Deferiprone?
The InChIKey is TZXKOCQBRNJULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3.
What are the key properties of Deferiprone?
Deferiprone has a molecular weight of 139.15 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 Deferiprone is sourced from PubChem (CID 2972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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