3-bromo-6-fluorobenzene-1,2-diol

C6H4BrFO2 — CID 45093034

IUPAC3-bromo-6-fluorobenzene-1,2-diol
SMILESOc1c(F)ccc(Br)c1O
InChIInChI=1S/C6H4BrFO2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H
InChIKeyKDNIPXAMGPMTEU-UHFFFAOYSA-N
MW207.00 g/mol
LogP2.00
Rot. Bonds

About 3-bromo-6-fluorobenzene-1,2-diol

3-bromo-6-fluorobenzene-1,2-diol (PubChem CID 45093034) has the molecular formula C6H4BrFO2 and a molecular weight of 207.00 g/mol. Its IUPAC name is 3-bromo-6-fluorobenzene-1,2-diol.

Molecular Properties

Compound Name3-bromo-6-fluorobenzene-1,2-diol
PubChem CID45093034
Molecular FormulaC6H4BrFO2
Molecular Weight207.00 g/mol
Exact Mass205.94
IUPAC Name3-bromo-6-fluorobenzene-1,2-diol
SMILESOc1c(F)ccc(Br)c1O
InChIInChI=1S/C6H4BrFO2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H
InChIKeyKDNIPXAMGPMTEU-UHFFFAOYSA-N
XLogP2.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.00
LogP ≤ 52.00
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'}

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Related Compounds

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2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde
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3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol
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2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol
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6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride
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CID 168515676
2-[(1S)-1-amino-2-fluoroethyl]-6-bromo-3-fluorophenol
CID 130934021
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793424
2-bromo-5-fluoronaphthalen-1-ol
CID 82275039
2-bromo-7-chloronaphthalen-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluorobenzene-1,2-diol?
The IUPAC name of 3-bromo-6-fluorobenzene-1,2-diol (CID 45093034) is 3-bromo-6-fluorobenzene-1,2-diol.
What is the SMILES notation for 3-bromo-6-fluorobenzene-1,2-diol?
The canonical SMILES for 3-bromo-6-fluorobenzene-1,2-diol is Oc1c(F)ccc(Br)c1O.
What is the InChIKey of 3-bromo-6-fluorobenzene-1,2-diol?
The InChIKey is KDNIPXAMGPMTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFO2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H.
What are the key properties of 3-bromo-6-fluorobenzene-1,2-diol?
3-bromo-6-fluorobenzene-1,2-diol has a molecular weight of 207.00 g/mol, XLogP of 2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluorobenzene-1,2-diol is sourced from PubChem (CID 45093034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).