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

C7HClF6INO — CID 133087757

IUPAC6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cc(Cl)nc(I)c1C(F)(F)F
InChIInChI=1S/C7HClF6INO/c8-3-1-2(17-7(12,13)14)4(5(15)16-3)6(9,10)11/h1H
InChIKeyCUGLOUHOGLOLIX-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.26
Rot. Bonds1

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

6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 133087757) has the molecular formula C7HClF6INO and a molecular weight of 391.44 g/mol. Its IUPAC name is 6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
PubChem CID133087757
Molecular FormulaC7HClF6INO
Molecular Weight391.44 g/mol
Exact Mass390.87
IUPAC Name6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cc(Cl)nc(I)c1C(F)(F)F
InChIInChI=1S/C7HClF6INO/c8-3-1-2(17-7(12,13)14)4(5(15)16-3)6(9,10)11/h1H
InChIKeyCUGLOUHOGLOLIX-UHFFFAOYSA-N
XLogP4.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134681331
2,3,6-trichloro-4-(trifluoromethoxy)pyridine
CID 119007597
6-iodo-2-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 129319241
5-(chloromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 130092462
2-chloro-4-(trifluoromethoxy)quinoline
CID 150452765
2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 118810105
6-(chloromethyl)-2-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826840
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine
CID 134679264
2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134676595
3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine
CID 130934949
6-methyl-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
CID 171656686
6-chloro-3-(trifluoromethoxy)pyridin-2-amine
CID 118991079

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (CID 133087757) is 6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is FC(F)(F)Oc1cc(Cl)nc(I)c1C(F)(F)F.
What is the InChIKey of 6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is CUGLOUHOGLOLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HClF6INO/c8-3-1-2(17-7(12,13)14)4(5(15)16-3)6(9,10)11/h1H.
What are the key properties of 6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 391.44 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 133087757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).