3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one

C6H5FINO — CID 151032557

IUPAC3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one
SMILESCc1c(I)c[nH]c(=O)c1F
InChIInChI=1S/C6H5FINO/c1-3-4(8)2-9-6(10)5(3)7/h2H,1H3,(H,9,10)
InChIKeyMAJJQDGBMVDCJY-UHFFFAOYSA-N
MW253.01 g/mol
LogP1.43
Rot. Bonds

About 3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one

3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one (PubChem CID 151032557) has the molecular formula C6H5FINO and a molecular weight of 253.01 g/mol. Its IUPAC name is 3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one
PubChem CID151032557
Molecular FormulaC6H5FINO
Molecular Weight253.01 g/mol
Exact Mass252.94
IUPAC Name3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one
SMILESCc1c(I)c[nH]c(=O)c1F
InChIInChI=1S/C6H5FINO/c1-3-4(8)2-9-6(10)5(3)7/h2H,1H3,(H,9,10)
InChIKeyMAJJQDGBMVDCJY-UHFFFAOYSA-N
XLogP1.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.01
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one (CID 151032557) is 3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one is Cc1c(I)c[nH]c(=O)c1F.
What is the InChIKey of 3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one?
The InChIKey is MAJJQDGBMVDCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FINO/c1-3-4(8)2-9-6(10)5(3)7/h2H,1H3,(H,9,10).
What are the key properties of 3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one?
3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one has a molecular weight of 253.01 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-iodo-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 151032557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).