2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde

C7H4F2INO2 — CID 118832066

IUPAC2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(I)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H4F2INO2/c8-6(9)5-3(2-12)1-4(10)7(13)11-5/h1-2,6H,(H,11,13)
InChIKeyMSZVNDNXDMDFBM-UHFFFAOYSA-N
MW299.01 g/mol
LogP1.73
Rot. Bonds2

About 2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde

2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118832066) has the molecular formula C7H4F2INO2 and a molecular weight of 299.01 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118832066
Molecular FormulaC7H4F2INO2
Molecular Weight299.01 g/mol
Exact Mass298.93
IUPAC Name2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(I)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H4F2INO2/c8-6(9)5-3(2-12)1-4(10)7(13)11-5/h1-2,6H,(H,11,13)
InChIKeyMSZVNDNXDMDFBM-UHFFFAOYSA-N
XLogP1.73
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.01
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130072658
6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118837355
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 118842995
6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one
CID 118837451
5-(chloromethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130085193
3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082831
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 119023480
2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbaldehyde
CID 118832080
6-(difluoromethyl)-3-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 130082788
6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile
CID 130076426
6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde
CID 137203197
6-(difluoromethyl)-5-fluoro-4-iodo-1H-pyridin-2-one
CID 118826088

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde (CID 118832066) is 2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde is O=Cc1cc(I)c(=O)[nH]c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is MSZVNDNXDMDFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2INO2/c8-6(9)5-3(2-12)1-4(10)7(13)11-5/h1-2,6H,(H,11,13).
What are the key properties of 2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde?
2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 299.01 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118832066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).