4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine

C6HBr2F3INO — CID 118817438

IUPAC4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1ncc(Br)c(Br)c1I
InChIInChI=1S/C6HBr2F3INO/c7-2-1-13-5(4(12)3(2)8)14-6(9,10)11/h1H
InChIKeyXZYSPONRPHEHPJ-UHFFFAOYSA-N
MW446.79 g/mol
LogP4.11
Rot. Bonds1

About 4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine

4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine (PubChem CID 118817438) has the molecular formula C6HBr2F3INO and a molecular weight of 446.79 g/mol. Its IUPAC name is 4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
PubChem CID118817438
Molecular FormulaC6HBr2F3INO
Molecular Weight446.79 g/mol
Exact Mass444.74
IUPAC Name4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1ncc(Br)c(Br)c1I
InChIInChI=1S/C6HBr2F3INO/c7-2-1-13-5(4(12)3(2)8)14-6(9,10)11/h1H
InChIKeyXZYSPONRPHEHPJ-UHFFFAOYSA-N
XLogP4.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.79
LogP ≤ 54.11
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

2-[4-bromo-5-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118811704
4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
4,6-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118812318
4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol
CID 131059755
5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine
CID 118822184
3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134666970
4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine
CID 118840248
3-bromo-5-methoxy-2-(trifluoromethoxy)pyridine
CID 130089396
3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine
CID 131118784
4-bromo-5-fluoro-2-(trifluoromethoxy)pyridin-3-ol
CID 118851239
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine?
The IUPAC name of 4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine (CID 118817438) is 4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine is FC(F)(F)Oc1ncc(Br)c(Br)c1I.
What is the InChIKey of 4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine?
The InChIKey is XZYSPONRPHEHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2F3INO/c7-2-1-13-5(4(12)3(2)8)14-6(9,10)11/h1H.
What are the key properties of 4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine?
4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine has a molecular weight of 446.79 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118817438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).