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

C7H5F2NO2 — CID 118843286

IUPAC6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H5F2NO2/c8-7(9)5-1-6(12)4(3-11)2-10-5/h1-3,7H,(H,10,12)
InChIKeyALYWSBAAIQOOFC-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.12
Rot. Bonds2

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

6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118843286) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118843286
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H5F2NO2/c8-7(9)5-1-6(12)4(3-11)2-10-5/h1-3,7H,(H,10,12)
InChIKeyALYWSBAAIQOOFC-UHFFFAOYSA-N
XLogP1.12
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde (CID 118843286) is 6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c[nH]c(C(F)F)cc1=O.
What is the InChIKey of 6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is ALYWSBAAIQOOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-7(9)5-1-6(12)4(3-11)2-10-5/h1-3,7H,(H,10,12).
What are the key properties of 6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde?
6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 173.12 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118843286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).