4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine

C8H4F6INO — CID 134681197

IUPAC4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESCc1c(I)cc(OC(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C8H4F6INO/c1-3-4(15)2-5(17-8(12,13)14)16-6(3)7(9,10)11/h2H,1H3
InChIKeyQCNUWUOEBGOURY-UHFFFAOYSA-N
MW371.02 g/mol
LogP3.91
Rot. Bonds1

About 4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine

4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (PubChem CID 134681197) has the molecular formula C8H4F6INO and a molecular weight of 371.02 g/mol. Its IUPAC name is 4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
PubChem CID134681197
Molecular FormulaC8H4F6INO
Molecular Weight371.02 g/mol
Exact Mass370.92
IUPAC Name4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESCc1c(I)cc(OC(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C8H4F6INO/c1-3-4(15)2-5(17-8(12,13)14)16-6(3)7(9,10)11/h2H,1H3
InChIKeyQCNUWUOEBGOURY-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.02
LogP ≤ 53.91
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-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666974
2,4-diiodo-6-(trifluoromethoxy)pyridin-3-amine
CID 131214175
2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134676595
2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 119006706
2,4-dimethyl-6-(trifluoromethoxy)pyridine
CID 130088944
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
4-(difluoromethyl)-3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134665522
3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-4-amine
CID 118823698
4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680738
ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667290
3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112791
3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112748

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (CID 134681197) is 4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is Cc1c(I)cc(OC(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is QCNUWUOEBGOURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6INO/c1-3-4(15)2-5(17-8(12,13)14)16-6(3)7(9,10)11/h2H,1H3.
What are the key properties of 4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine has a molecular weight of 371.02 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134681197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).