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

C7H5F3INO2 — CID 130111059

IUPAC3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1cc(OC(F)(F)F)[nH]c(=O)c1I
InChIInChI=1S/C7H5F3INO2/c1-3-2-4(14-7(8,9)10)12-6(13)5(3)11/h2H,1H3,(H,12,13)
InChIKeyAOTSJCRRLJVHBF-UHFFFAOYSA-N
MW319.02 g/mol
LogP2.19
Rot. Bonds1

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

3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130111059) has the molecular formula C7H5F3INO2 and a molecular weight of 319.02 g/mol. Its IUPAC name is 3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130111059
Molecular FormulaC7H5F3INO2
Molecular Weight319.02 g/mol
Exact Mass318.93
IUPAC Name3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1cc(OC(F)(F)F)[nH]c(=O)c1I
InChIInChI=1S/C7H5F3INO2/c1-3-2-4(14-7(8,9)10)12-6(13)5(3)11/h2H,1H3,(H,12,13)
InChIKeyAOTSJCRRLJVHBF-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

3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 131168157
4-methyl-2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
CID 134679128
4-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111068
3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134677601
3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134658855
2-methyl-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112222
3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131399939
6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130112786
6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134658717
3-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092709
ethyl 2-[3-nitro-2-oxo-6-(trifluoromethoxy)-1H-pyridin-4-yl]acetate
CID 134660296
6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112200

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 130111059) is 3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one is Cc1cc(OC(F)(F)F)[nH]c(=O)c1I.
What is the InChIKey of 3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is AOTSJCRRLJVHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO2/c1-3-2-4(14-7(8,9)10)12-6(13)5(3)11/h2H,1H3,(H,12,13).
What are the key properties of 3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-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-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130111059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).