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

C7H4F2INO2 — CID 130082831

IUPAC3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(I)[nH]c(=O)c1C(F)F
InChIInChI=1S/C7H4F2INO2/c8-6(9)5-3(2-12)1-4(10)11-7(5)13/h1-2,6H,(H,11,13)
InChIKeyLCMSPJZABDZVPP-UHFFFAOYSA-N
MW299.01 g/mol
LogP1.73
Rot. Bonds2

About 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde

3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 130082831) has the molecular formula C7H4F2INO2 and a molecular weight of 299.01 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
PubChem CID130082831
Molecular FormulaC7H4F2INO2
Molecular Weight299.01 g/mol
Exact Mass298.93
IUPAC Name3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(I)[nH]c(=O)c1C(F)F
InChIInChI=1S/C7H4F2INO2/c8-6(9)5-3(2-12)1-4(10)11-7(5)13/h1-2,6H,(H,11,13)
InChIKeyLCMSPJZABDZVPP-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082602
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 118835502
2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde
CID 118832066
5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde
CID 171007894
4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118800770
2-chloro-3-(difluoromethyl)-6-iodopyridine-4-carbaldehyde
CID 119023319
3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one
CID 130099612
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 118842995
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118828957
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 119023480
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130072658
3-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082829

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde (CID 130082831) is 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde is O=Cc1cc(I)[nH]c(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is LCMSPJZABDZVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2INO2/c8-6(9)5-3(2-12)1-4(10)11-7(5)13/h1-2,6H,(H,11,13).
What are the key properties of 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde?
3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-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 3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 130082831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).