6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde

C7H4F2INO2 — CID 118826000

IUPAC6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cc(=O)c(I)c(C(F)F)[nH]1
InChIInChI=1S/C7H4F2INO2/c8-7(9)6-5(10)4(13)1-3(2-12)11-6/h1-2,7H,(H,11,13)
InChIKeyPULOGJYSCLUUMV-UHFFFAOYSA-N
MW299.01 g/mol
LogP1.73
Rot. Bonds2

About 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde

6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 118826000) has the molecular formula C7H4F2INO2 and a molecular weight of 299.01 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde
PubChem CID118826000
Molecular FormulaC7H4F2INO2
Molecular Weight299.01 g/mol
Exact Mass298.93
IUPAC Name6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cc(=O)c(I)c(C(F)F)[nH]1
InChIInChI=1S/C7H4F2INO2/c8-7(9)6-5(10)4(13)1-3(2-12)11-6/h1-2,7H,(H,11,13)
InChIKeyPULOGJYSCLUUMV-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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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde (CID 118826000) is 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde is O=Cc1cc(=O)c(I)c(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is PULOGJYSCLUUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2INO2/c8-7(9)6-5(10)4(13)1-3(2-12)11-6/h1-2,7H,(H,11,13).
What are the key properties of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde?
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-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 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118826000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).