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

C7HBrF6INO — CID 118822750

IUPAC4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1c(Br)cc(C(F)(F)F)nc1I
InChIInChI=1S/C7HBrF6INO/c8-2-1-3(6(9,10)11)16-5(15)4(2)17-7(12,13)14/h1H
InChIKeyUHPWNTAXLPDHIM-UHFFFAOYSA-N
MW435.89 g/mol
LogP4.37
Rot. Bonds1

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

4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (PubChem CID 118822750) has the molecular formula C7HBrF6INO and a molecular weight of 435.89 g/mol. Its IUPAC name is 4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
PubChem CID118822750
Molecular FormulaC7HBrF6INO
Molecular Weight435.89 g/mol
Exact Mass434.82
IUPAC Name4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1c(Br)cc(C(F)(F)F)nc1I
InChIInChI=1S/C7HBrF6INO/c8-2-1-3(6(9,10)11)16-5(15)4(2)17-7(12,13)14/h1H
InChIKeyUHPWNTAXLPDHIM-UHFFFAOYSA-N
XLogP4.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 54.37
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

2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134676696
[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825745
2,4-dibromo-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine
CID 118704019
1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene
CID 118813366
2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134666372
2-bromo-6-iodo-4-methyl-3-(trifluoromethoxy)pyridine
CID 119006523
1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene
CID 118807728
4-bromo-2-(trifluoromethyl)-1,10-phenanthroline
CID 83399919
2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine
CID 130112544
2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine
CID 119011660
4,6-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118812318
CID 59355302
CID 59355302

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (CID 118822750) is 4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is FC(F)(F)Oc1c(Br)cc(C(F)(F)F)nc1I.
What is the InChIKey of 4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is UHPWNTAXLPDHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrF6INO/c8-2-1-3(6(9,10)11)16-5(15)4(2)17-7(12,13)14/h1H.
What are the key properties of 4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine has a molecular weight of 435.89 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 118822750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).