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

C6HBr2F3INO — CID 119011660

IUPAC2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1c(I)cnc(Br)c1Br
InChIInChI=1S/C6HBr2F3INO/c7-3-4(14-6(9,10)11)2(12)1-13-5(3)8/h1H
InChIKeyFUOPQETYUIEMIQ-UHFFFAOYSA-N
MW446.79 g/mol
LogP4.11
Rot. Bonds1

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

2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine (PubChem CID 119011660) has the molecular formula C6HBr2F3INO and a molecular weight of 446.79 g/mol. Its IUPAC name is 2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine
PubChem CID119011660
Molecular FormulaC6HBr2F3INO
Molecular Weight446.79 g/mol
Exact Mass444.74
IUPAC Name2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1c(I)cnc(Br)c1Br
InChIInChI=1S/C6HBr2F3INO/c7-3-4(14-6(9,10)11)2(12)1-13-5(3)8/h1H
InChIKeyFUOPQETYUIEMIQ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine
CID 131096509
2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine
CID 119012985
2,3,4-tribromo-5-(trifluoromethoxy)pyridine
CID 118809447
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680470
5-iodo-3-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666954
2,3-dibromo-4-chloro-5-(trifluoromethoxy)pyridine
CID 118811403
[3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130113156
2-(bromomethyl)-3-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine
CID 134668841
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine (CID 119011660) is 2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine is FC(F)(F)Oc1c(I)cnc(Br)c1Br.
What is the InChIKey of 2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine?
The InChIKey is FUOPQETYUIEMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2F3INO/c7-3-4(14-6(9,10)11)2(12)1-13-5(3)8/h1H.
What are the key properties of 2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine?
2,3-dibromo-5-iodo-4-(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 2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 119011660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).