4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine

C8H6F4INO2 — CID 118801343

IUPAC4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1cnc(I)c(OC(F)(F)F)c1CF
InChIInChI=1S/C8H6F4INO2/c1-15-5-3-14-7(13)6(4(5)2-9)16-8(10,11)12/h3H,2H2,1H3
InChIKeyCINYYAGBJDHCNP-UHFFFAOYSA-N
MW351.04 g/mol
LogP3.06
Rot. Bonds3

About 4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine

4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine (PubChem CID 118801343) has the molecular formula C8H6F4INO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine
PubChem CID118801343
Molecular FormulaC8H6F4INO2
Molecular Weight351.04 g/mol
Exact Mass350.94
IUPAC Name4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1cnc(I)c(OC(F)(F)F)c1CF
InChIInChI=1S/C8H6F4INO2/c1-15-5-3-14-7(13)6(4(5)2-9)16-8(10,11)12/h3H,2H2,1H3
InChIKeyCINYYAGBJDHCNP-UHFFFAOYSA-N
XLogP3.06
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-iodo-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134661473
2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130112546
2-iodo-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538
4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine
CID 118801353
3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134682676
methyl 5-(fluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134680047
methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665380
[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134659057
methyl 2-[5-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659206
[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134662772
ethyl 2-[4-(chloromethyl)-6-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661070

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine (CID 118801343) is 4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine is COc1cnc(I)c(OC(F)(F)F)c1CF.
What is the InChIKey of 4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine?
The InChIKey is CINYYAGBJDHCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4INO2/c1-15-5-3-14-7(13)6(4(5)2-9)16-8(10,11)12/h3H,2H2,1H3.
What are the key properties of 4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine?
4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine has a molecular weight of 351.04 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118801343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).