5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde

C8H4F4INO2 — CID 134661619

IUPAC5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(OC(F)(F)F)c(CF)c1I
InChIInChI=1S/C8H4F4INO2/c9-1-5-6(13)4(3-15)2-14-7(5)16-8(10,11)12/h2-3H,1H2
InChIKeyNOSCZMIYONSLHO-UHFFFAOYSA-N
MW349.02 g/mol
LogP2.87
Rot. Bonds3

About 5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde

5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 134661619) has the molecular formula C8H4F4INO2 and a molecular weight of 349.02 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID134661619
Molecular FormulaC8H4F4INO2
Molecular Weight349.02 g/mol
Exact Mass348.92
IUPAC Name5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(OC(F)(F)F)c(CF)c1I
InChIInChI=1S/C8H4F4INO2/c9-1-5-6(13)4(3-15)2-14-7(5)16-8(10,11)12/h2-3H,1H2
InChIKeyNOSCZMIYONSLHO-UHFFFAOYSA-N
XLogP2.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)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

Related Compounds

5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776
6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118809518
3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134666990
5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661449
4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine
CID 118840248
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134673019
4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134682429
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134660996
6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113178
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113288
2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134667296

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 134661619) is 5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde is O=Cc1cnc(OC(F)(F)F)c(CF)c1I.
What is the InChIKey of 5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is NOSCZMIYONSLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4INO2/c9-1-5-6(13)4(3-15)2-14-7(5)16-8(10,11)12/h2-3H,1H2.
What are the key properties of 5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 349.02 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 134661619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).