3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one

C7H5F3INO2 — CID 130111102

IUPAC3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1[nH]cc(OC(F)(F)F)c(=O)c1I
InChIInChI=1S/C7H5F3INO2/c1-3-5(11)6(13)4(2-12-3)14-7(8,9)10/h2H,1H3,(H,12,13)
InChIKeyDSICZVAFHZLOOF-UHFFFAOYSA-N
MW319.02 g/mol
LogP2.19
Rot. Bonds1

About 3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one

3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 130111102) has the molecular formula C7H5F3INO2 and a molecular weight of 319.02 g/mol. Its IUPAC name is 3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID130111102
Molecular FormulaC7H5F3INO2
Molecular Weight319.02 g/mol
Exact Mass318.93
IUPAC Name3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1[nH]cc(OC(F)(F)F)c(=O)c1I
InChIInChI=1S/C7H5F3INO2/c1-3-5(11)6(13)4(2-12-3)14-7(8,9)10/h2H,1H3,(H,12,13)
InChIKeyDSICZVAFHZLOOF-UHFFFAOYSA-N
XLogP2.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.02
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092712
2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 119023237
4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 130111539
3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 134658857
methyl 2-[3-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134666451
3-(bromomethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111899
3-bromo-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
CID 131443395
4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131318676
3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118833058
methyl 3-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carboxylate
CID 134662273
3-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092709
3-(bromomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 134666722

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one (CID 130111102) is 3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one is Cc1[nH]cc(OC(F)(F)F)c(=O)c1I.
What is the InChIKey of 3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is DSICZVAFHZLOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO2/c1-3-5(11)6(13)4(2-12-3)14-7(8,9)10/h2H,1H3,(H,12,13).
What are the key properties of 3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 319.02 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 130111102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).