3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine

C7H4F4INO — CID 131011041

IUPAC3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine
SMILESFCOc1cc(I)cnc1C(F)(F)F
InChIInChI=1S/C7H4F4INO/c8-3-14-5-1-4(12)2-13-6(5)7(9,10)11/h1-2H,3H2
InChIKeyOKLDNHXTEUIRNK-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.01
Rot. Bonds2

About 3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine

3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine (PubChem CID 131011041) has the molecular formula C7H4F4INO and a molecular weight of 321.01 g/mol. Its IUPAC name is 3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine
PubChem CID131011041
Molecular FormulaC7H4F4INO
Molecular Weight321.01 g/mol
Exact Mass320.93
IUPAC Name3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine
SMILESFCOc1cc(I)cnc1C(F)(F)F
InChIInChI=1S/C7H4F4INO/c8-3-14-5-1-4(12)2-13-6(5)7(9,10)11/h1-2H,3H2
InChIKeyOKLDNHXTEUIRNK-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine 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-iodo-3-(trifluoromethoxy)pyridin-2-amine
CID 118999866
5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 130849786
3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine
CID 131054604
2-chloro-3-(fluoromethoxy)-5-(trifluoromethyl)pyridine
CID 157023112
[5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 130783139
5-fluoro-2,3-bis(trifluoromethyl)pyridine
CID 133094693
1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 145450835
2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine
CID 121235124
5-iodo-3-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666954
3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine
CID 126639458
2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119000682
3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134665599

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine (CID 131011041) is 3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine is FCOc1cc(I)cnc1C(F)(F)F.
What is the InChIKey of 3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine?
The InChIKey is OKLDNHXTEUIRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4INO/c8-3-14-5-1-4(12)2-13-6(5)7(9,10)11/h1-2H,3H2.
What are the key properties of 3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine?
3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine has a molecular weight of 321.01 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 131011041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).