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

C8H6F4INO — CID 118840248

IUPAC4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine
SMILESCc1cnc(OC(F)(F)F)c(I)c1CF
InChIInChI=1S/C8H6F4INO/c1-4-3-14-7(15-8(10,11)12)6(13)5(4)2-9/h3H,2H2,1H3
InChIKeyHIGGXIRXQJMPFB-UHFFFAOYSA-N
MW335.04 g/mol
LogP3.36
Rot. Bonds2

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

4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine (PubChem CID 118840248) has the molecular formula C8H6F4INO and a molecular weight of 335.04 g/mol. Its IUPAC name is 4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine
PubChem CID118840248
Molecular FormulaC8H6F4INO
Molecular Weight335.04 g/mol
Exact Mass334.94
IUPAC Name4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine
SMILESCc1cnc(OC(F)(F)F)c(I)c1CF
InChIInChI=1S/C8H6F4INO/c1-4-3-14-7(15-8(10,11)12)6(13)5(4)2-9/h3H,2H2,1H3
InChIKeyHIGGXIRXQJMPFB-UHFFFAOYSA-N
XLogP3.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134667296
[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723
[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112708
5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661619
ethyl 2-[4-(bromomethyl)-5-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134676598
ethyl 2-[5-iodo-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659124
4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine
CID 118800275
5-(fluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111324
[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134660996
ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134667648
4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118817438

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine (CID 118840248) is 4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine is Cc1cnc(OC(F)(F)F)c(I)c1CF.
What is the InChIKey of 4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine?
The InChIKey is HIGGXIRXQJMPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4INO/c1-4-3-14-7(15-8(10,11)12)6(13)5(4)2-9/h3H,2H2,1H3.
What are the key properties of 4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine?
4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine has a molecular weight of 335.04 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118840248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).