4,5-dibromo-3-fluorobenzene-1,2-diol

C6H3Br2FO2 — CID 142181565

IUPAC4,5-dibromo-3-fluorobenzene-1,2-diol
SMILESOc1cc(Br)c(Br)c(F)c1O
InChIInChI=1S/C6H3Br2FO2/c7-2-1-3(10)6(11)5(9)4(2)8/h1,10-11H
InChIKeyJMKIMRBWLAKMHX-UHFFFAOYSA-N
MW285.89 g/mol
LogP2.76
Rot. Bonds

About 4,5-dibromo-3-fluorobenzene-1,2-diol

4,5-dibromo-3-fluorobenzene-1,2-diol (PubChem CID 142181565) has the molecular formula C6H3Br2FO2 and a molecular weight of 285.89 g/mol. Its IUPAC name is 4,5-dibromo-3-fluorobenzene-1,2-diol.

Molecular Properties

Compound Name4,5-dibromo-3-fluorobenzene-1,2-diol
PubChem CID142181565
Molecular FormulaC6H3Br2FO2
Molecular Weight285.89 g/mol
Exact Mass283.85
IUPAC Name4,5-dibromo-3-fluorobenzene-1,2-diol
SMILESOc1cc(Br)c(Br)c(F)c1O
InChIInChI=1S/C6H3Br2FO2/c7-2-1-3(10)6(11)5(9)4(2)8/h1,10-11H
InChIKeyJMKIMRBWLAKMHX-UHFFFAOYSA-N
XLogP2.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.89
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-3,4-difluorophenol
CID 84814133
2,5-dibromo-3,6-difluorophenol
CID 118990727
2-(6-bromo-2-fluoro-3,4-dihydroxyphenyl)acetic acid
CID 117416359
3-(2-aminoethyl)-5-bromo-4-fluorobenzene-1,2-diol
CID 117378174
4-(1-aminocyclohexyl)-5-bromo-3-fluorobenzene-1,2-diol
CID 117489242
3-bromo-4-chloro-5-fluorobenzene-1,2-diol
CID 84702773
2-bromo-4-fluoro-5-methylphenol
CID 84672831
3-(aminooxymethyl)-5-bromo-4-fluorobenzene-1,2-diol
CID 117382990
3-bromo-6-fluorobenzene-1,2-diol
CID 45093034
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
2-bromo-6-fluorobenzene-1,4-diol
CID 84674762
2-bromo-5-fluorobenzene-1,3-diol
CID 131382687

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-3-fluorobenzene-1,2-diol?
The IUPAC name of 4,5-dibromo-3-fluorobenzene-1,2-diol (CID 142181565) is 4,5-dibromo-3-fluorobenzene-1,2-diol.
What is the SMILES notation for 4,5-dibromo-3-fluorobenzene-1,2-diol?
The canonical SMILES for 4,5-dibromo-3-fluorobenzene-1,2-diol is Oc1cc(Br)c(Br)c(F)c1O.
What is the InChIKey of 4,5-dibromo-3-fluorobenzene-1,2-diol?
The InChIKey is JMKIMRBWLAKMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2FO2/c7-2-1-3(10)6(11)5(9)4(2)8/h1,10-11H.
What are the key properties of 4,5-dibromo-3-fluorobenzene-1,2-diol?
4,5-dibromo-3-fluorobenzene-1,2-diol has a molecular weight of 285.89 g/mol, XLogP of 2.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-3-fluorobenzene-1,2-diol is sourced from PubChem (CID 142181565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).