2,3,4-tribromo-5-(trifluoromethoxy)pyridine

C6HBr3F3NO — CID 118809447

IUPAC2,3,4-tribromo-5-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1cnc(Br)c(Br)c1Br
InChIInChI=1S/C6HBr3F3NO/c7-3-2(14-6(10,11)12)1-13-5(9)4(3)8/h1H
InChIKeySBDYGGCRWRYVML-UHFFFAOYSA-N
MW399.79 g/mol
LogP4.27
Rot. Bonds1

About 2,3,4-tribromo-5-(trifluoromethoxy)pyridine

2,3,4-tribromo-5-(trifluoromethoxy)pyridine (PubChem CID 118809447) has the molecular formula C6HBr3F3NO and a molecular weight of 399.79 g/mol. Its IUPAC name is 2,3,4-tribromo-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2,3,4-tribromo-5-(trifluoromethoxy)pyridine
PubChem CID118809447
Molecular FormulaC6HBr3F3NO
Molecular Weight399.79 g/mol
Exact Mass396.76
IUPAC Name2,3,4-tribromo-5-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1cnc(Br)c(Br)c1Br
InChIInChI=1S/C6HBr3F3NO/c7-3-2(14-6(10,11)12)1-13-5(9)4(3)8/h1H
InChIKeySBDYGGCRWRYVML-UHFFFAOYSA-N
XLogP4.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.79
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-dibromo-4-chloro-5-(trifluoromethoxy)pyridine
CID 118811403
[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093650
2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine
CID 130898141
4-bromo-2-(difluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118811379
2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine
CID 119011660
3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine
CID 130093759
4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 118839758
3-bromo-4-fluoro-2-methyl-5-(trifluoromethoxy)pyridine
CID 131214212
4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118804853
4-bromo-2-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118839363
5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571676

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tribromo-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2,3,4-tribromo-5-(trifluoromethoxy)pyridine (CID 118809447) is 2,3,4-tribromo-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2,3,4-tribromo-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2,3,4-tribromo-5-(trifluoromethoxy)pyridine is FC(F)(F)Oc1cnc(Br)c(Br)c1Br.
What is the InChIKey of 2,3,4-tribromo-5-(trifluoromethoxy)pyridine?
The InChIKey is SBDYGGCRWRYVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr3F3NO/c7-3-2(14-6(10,11)12)1-13-5(9)4(3)8/h1H.
What are the key properties of 2,3,4-tribromo-5-(trifluoromethoxy)pyridine?
2,3,4-tribromo-5-(trifluoromethoxy)pyridine has a molecular weight of 399.79 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tribromo-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118809447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).