5-bromo-2-fluoro-1H-imidazole

C3H2BrFN2 — CID 170897575

IUPAC5-bromo-2-fluoro-1H-imidazole
SMILESFc1ncc(Br)[nH]1
InChIInChI=1S/C3H2BrFN2/c4-2-1-6-3(5)7-2/h1H,(H,6,7)
InChIKeyOUCBSUFMBDNTMZ-UHFFFAOYSA-N
MW164.97 g/mol
LogP1.31
Rot. Bonds

About 5-bromo-2-fluoro-1H-imidazole

5-bromo-2-fluoro-1H-imidazole (PubChem CID 170897575) has the molecular formula C3H2BrFN2 and a molecular weight of 164.97 g/mol. Its IUPAC name is 5-bromo-2-fluoro-1H-imidazole.

Molecular Properties

Compound Name5-bromo-2-fluoro-1H-imidazole
PubChem CID170897575
Molecular FormulaC3H2BrFN2
Molecular Weight164.97 g/mol
Exact Mass163.94
IUPAC Name5-bromo-2-fluoro-1H-imidazole
SMILESFc1ncc(Br)[nH]1
InChIInChI=1S/C3H2BrFN2/c4-2-1-6-3(5)7-2/h1H,(H,6,7)
InChIKeyOUCBSUFMBDNTMZ-UHFFFAOYSA-N
XLogP1.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.97
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-1H-imidazole?
The IUPAC name of 5-bromo-2-fluoro-1H-imidazole (CID 170897575) is 5-bromo-2-fluoro-1H-imidazole.
What is the SMILES notation for 5-bromo-2-fluoro-1H-imidazole?
The canonical SMILES for 5-bromo-2-fluoro-1H-imidazole is Fc1ncc(Br)[nH]1.
What is the InChIKey of 5-bromo-2-fluoro-1H-imidazole?
The InChIKey is OUCBSUFMBDNTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrFN2/c4-2-1-6-3(5)7-2/h1H,(H,6,7).
What are the key properties of 5-bromo-2-fluoro-1H-imidazole?
5-bromo-2-fluoro-1H-imidazole has a molecular weight of 164.97 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-1H-imidazole is sourced from PubChem (CID 170897575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).