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

C8H4F6INO — CID 134661634

IUPAC4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
SMILESCc1ncc(C(F)(F)F)c(I)c1OC(F)(F)F
InChIInChI=1S/C8H4F6INO/c1-3-6(17-8(12,13)14)5(15)4(2-16-3)7(9,10)11/h2H,1H3
InChIKeyODIFKIMDBJCLTF-UHFFFAOYSA-N
MW371.02 g/mol
LogP3.91
Rot. Bonds1

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

4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine (PubChem CID 134661634) has the molecular formula C8H4F6INO and a molecular weight of 371.02 g/mol. Its IUPAC name is 4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
PubChem CID134661634
Molecular FormulaC8H4F6INO
Molecular Weight371.02 g/mol
Exact Mass370.92
IUPAC Name4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
SMILESCc1ncc(C(F)(F)F)c(I)c1OC(F)(F)F
InChIInChI=1S/C8H4F6INO/c1-3-6(17-8(12,13)14)5(15)4(2-16-3)7(9,10)11/h2H,1H3
InChIKeyODIFKIMDBJCLTF-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

5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine
CID 130112860
[4-iodo-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112958
ethyl 2-[4-iodo-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659980
3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine
CID 130086106
3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134666970
4-chloro-6-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 131119063
ethyl 2-[5-iodo-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662248
[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134679983
5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131369998
3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
CID 119005601
2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine
CID 118834085
6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 130111846

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine (CID 134661634) is 4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine is Cc1ncc(C(F)(F)F)c(I)c1OC(F)(F)F.
What is the InChIKey of 4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is ODIFKIMDBJCLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6INO/c1-3-6(17-8(12,13)14)5(15)4(2-16-3)7(9,10)11/h2H,1H3.
What are the key properties of 4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
4-iodo-2-methyl-3-(trifluoromethoxy)-5-(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-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134661634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).