5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one

C7H5F3INO — CID 71737238

IUPAC5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(I)cc(C(F)(F)F)c1=O
InChIInChI=1S/C7H5F3INO/c1-12-3-4(11)2-5(6(12)13)7(8,9)10/h2-3H,1H3
InChIKeySPTWVURHMGVELS-UHFFFAOYSA-N
MW303.02 g/mol
LogP2.01
Rot. Bonds

About 5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one

5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 71737238) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is 5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one
PubChem CID71737238
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC Name5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(I)cc(C(F)(F)F)c1=O
InChIInChI=1S/C7H5F3INO/c1-12-3-4(11)2-5(6(12)13)7(8,9)10/h2-3H,1H3
InChIKeySPTWVURHMGVELS-UHFFFAOYSA-N
XLogP2.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one (CID 71737238) is 5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one is Cn1cc(I)cc(C(F)(F)F)c1=O.
What is the InChIKey of 5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is SPTWVURHMGVELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c1-12-3-4(11)2-5(6(12)13)7(8,9)10/h2-3H,1H3.
What are the key properties of 5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one?
5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 303.02 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methyl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 71737238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).