3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one

C7H5F3INO — CID 71552096

IUPAC3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(I)c(=O)[nH]1
InChIInChI=1S/C7H5F3INO/c1-3-2-4(7(8,9)10)5(11)6(13)12-3/h2H,1H3,(H,12,13)
InChIKeyMACHRRIXZHYOMI-UHFFFAOYSA-N
MW303.02 g/mol
LogP2.31
Rot. Bonds

About 3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one

3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 71552096) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is 3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID71552096
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC Name3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(I)c(=O)[nH]1
InChIInChI=1S/C7H5F3INO/c1-3-2-4(7(8,9)10)5(11)6(13)12-3/h2H,1H3,(H,12,13)
InChIKeyMACHRRIXZHYOMI-UHFFFAOYSA-N
XLogP2.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 52.31
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-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 71552096) is 3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(C(F)(F)F)c(I)c(=O)[nH]1.
What is the InChIKey of 3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is MACHRRIXZHYOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c1-3-2-4(7(8,9)10)5(11)6(13)12-3/h2H,1H3,(H,12,13).
What are the key properties of 3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 303.02 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 71552096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).