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

C8H4F5NO3 — CID 118807204

IUPAC4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)cc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H4F5NO3/c9-7(10)3-1-5(16)14-4(2-15)6(3)17-8(11,12)13/h1-2,7H,(H,14,16)
InChIKeyTVRVHJLRIIEXNP-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.02
Rot. Bonds3

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

4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde (PubChem CID 118807204) has the molecular formula C8H4F5NO3 and a molecular weight of 257.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde
PubChem CID118807204
Molecular FormulaC8H4F5NO3
Molecular Weight257.11 g/mol
Exact Mass257.01
IUPAC Name4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)cc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H4F5NO3/c9-7(10)3-1-5(16)14-4(2-15)6(3)17-8(11,12)13/h1-2,7H,(H,14,16)
InChIKeyTVRVHJLRIIEXNP-UHFFFAOYSA-N
XLogP2.02
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-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

2-(Difluoromethyl)-6-hydroxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 118803603
4-(fluoromethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 118806094
4-(Difluoromethyl)-6-hydroxy-3-methoxypicolinaldehyde
CID 118806957
4-(Fluoromethyl)-6-hydroxy-3-(trifluoromethoxy)picolinaldehyde
CID 118811740
2-(Difluoromethyl)-6-hydroxy-4-methoxypyridine-3-carboxaldehyde
CID 118820544
4-(Difluoromethyl)-6-hydroxy-3-methylpicolinaldehyde
CID 118829350
4-(Difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridin-2-ol
CID 118829782
4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118834640
2-(Difluoromethyl)-6-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxaldehyde
CID 118837422
4-(Difluoromethyl)-5-methoxy-6-methylpyridin-2-ol
CID 118839857
4-(Difluoromethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridin-2-ol
CID 118839871
4-(Difluoromethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-2-ol
CID 118840785

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde (CID 118807204) is 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde is O=Cc1[nH]c(=O)cc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde?
The InChIKey is TVRVHJLRIIEXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO3/c9-7(10)3-1-5(16)14-4(2-15)6(3)17-8(11,12)13/h1-2,7H,(H,14,16).
What are the key properties of 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde?
4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde has a molecular weight of 257.11 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118807204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).