2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol

C9H6BrFN2O — CID 137216868

IUPAC2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol
SMILESOc1c(Br)cc(F)cc1-c1ncc[nH]1
InChIInChI=1S/C9H6BrFN2O/c10-7-4-5(11)3-6(8(7)14)9-12-1-2-13-9/h1-4,14H,(H,12,13)
InChIKeyVACFLOKWYJWGLX-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.68
Rot. Bonds1

About 2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol

2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol (PubChem CID 137216868) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol
PubChem CID137216868
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol
SMILESOc1c(Br)cc(F)cc1-c1ncc[nH]1
InChIInChI=1S/C9H6BrFN2O/c10-7-4-5(11)3-6(8(7)14)9-12-1-2-13-9/h1-4,14H,(H,12,13)
InChIKeyVACFLOKWYJWGLX-UHFFFAOYSA-N
XLogP2.68
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-6-(1H-imidazol-2-yl)benzene-1,3-diol
CID 136822159
4-bromo-2-(1H-imidazol-2-yl)phenol
CID 135471340
2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
2-(2-bromo-5-methoxyphenyl)-1H-imidazole
CID 91367579
2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole
CID 125475669
2-(2-ethenyl-4-fluorophenyl)-1H-imidazole
CID 123208987
[3-fluoro-5-(1H-imidazol-2-yl)phenyl]methanol
CID 55266487
2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole
CID 172992579
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole
CID 83402165
5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole
CID 69362168
4-fluoro-3-(1H-imidazol-2-yl)benzonitrile
CID 55267742

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol?
The IUPAC name of 2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol (CID 137216868) is 2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol.
What is the SMILES notation for 2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol?
The canonical SMILES for 2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol is Oc1c(Br)cc(F)cc1-c1ncc[nH]1.
What is the InChIKey of 2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol?
The InChIKey is VACFLOKWYJWGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c10-7-4-5(11)3-6(8(7)14)9-12-1-2-13-9/h1-4,14H,(H,12,13).
What are the key properties of 2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol?
2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol has a molecular weight of 257.06 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol is sourced from PubChem (CID 137216868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).