2,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol
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Basic information
- CAS
10245-81-5- Standard SMILES
Oc1c(Br)cc(Br)cc1-c1[nH]c(Br)c(Br)c1Br- InChIKey
LXMNWKJHYOZUQL-UHFFFAOYSA-N- Molecular formula
- C10H4Br5NO
- Average molar mass
- 553.7 g/mol
- Monoisotopic mass
- 548.62098
Overview
Pentabromopseudilin is a natural product found particularly in Pseudoalteromonas species and Chromobacterium species. It has a role as a metabolite.
Names & identifiers
- Preferred name
- 2,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol
- IUPAC
- 2,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol
- English name
- pentabromopseudilin
- Molecular formula
- C10H4Br5NO
- Molecular weight
- 553.66
Names & synonyms
Pentabromopseudilin10245-81-52,4-Dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenolBUV7D4FJ9VNSC-288032NSC-641543DTXSID903147442,3,4-tribromo-5-(3,5-dibromo-2-hydroxyphenyl)-1H-pyrroleRefChem:171291DTXCID30265867NSC641543Phenol, 2,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)-
Show more names
2,3,4-Tribromo-5-(2-hydroxy-3,5-dibromophenyl)-1H-pyrrole2-(3,5-Dibromo-2-hydroxyphenyl)-3,4,5-tribromo-1H-pyrrole
Phenol, 2,4-dibromo-6-(3,4,5-tribromopyrrol-2-yl)-CHEMBL1235156NSC641543; NSC2880322-(3,5-Dibromo-2-hydroxyphenyl)-3,4,5-tribromopyrrol; 2,4-Dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenolPyrrolantibioticLovell substance4nakPBQ
Database identifiers
- CAS
10245-81-5- PubChem CID
- 324093
- DTXSID
DTXSID90314744- ChEMBL
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 150 °C · 150 °C (decomp)(Solv: benzene (71-43-2); hexane (110-54-3))
- Boiling point
- 464.2 · 464.2±40.0 °C(Predicted)
- Density
- 2.606 · 2.606±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in DMSO (5 mg/ml)
- form
- powder
- pka
- 6.58 · 6.58±0.48(Predicted)
- color
- Off-white
- InChI
- 1S/C10H4Br5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H
- InChIKey
- LXMNWKJHYOZUQL-UHFFFAOYSA-N
- SMILES
- OC1=C(Br)C=C(Br)C=C1C2=C(Br)C(Br)=C(Br)N2
- FDA UNII
- 7 D4FJ9V · BUV7D4FJ9V
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- Storage Class
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesPentabromopseudilin, is a metabolite produced by Chromobacterium, isolated from a seawater sample from the North Pacific Gyre. The compound as shown to be responsible for autoinhibition in the Chromobacterium itself, as well as for antibiotic action against other kinds of bacteria.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Pentabromopseudilin is a member of pyrroles. It has a role as a metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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