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

C7H3F5INO2 — CID 130111333

IUPAC2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc(I)[nH]c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C7H3F5INO2/c8-6(9)4-5(16-7(10,11)12)2(15)1-3(13)14-4/h1,6H,(H,14,15)
InChIKeyAOXMWRQIRGCVNE-UHFFFAOYSA-N
MW355.00 g/mol
LogP2.82
Rot. Bonds2

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

2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 130111333) has the molecular formula C7H3F5INO2 and a molecular weight of 355.00 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID130111333
Molecular FormulaC7H3F5INO2
Molecular Weight355.00 g/mol
Exact Mass354.91
IUPAC Name2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc(I)[nH]c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C7H3F5INO2/c8-6(9)4-5(16-7(10,11)12)2(15)1-3(13)14-4/h1,6H,(H,14,15)
InChIKeyAOXMWRQIRGCVNE-UHFFFAOYSA-N
XLogP2.82
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.00
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134660918
2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118832470
ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660644
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209
2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one
CID 118803464
methyl 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxylate
CID 130082897
2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide
CID 118826057
6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134677760
4-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111068
2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130112028
6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134679073
2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130882908

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 130111333) is 2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one is O=c1cc(I)[nH]c(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is AOXMWRQIRGCVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5INO2/c8-6(9)4-5(16-7(10,11)12)2(15)1-3(13)14-4/h1,6H,(H,14,15).
What are the key properties of 2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 355.00 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 130111333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).