[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol

C9H7BrFN3O — CID 21069763

IUPAC[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2cc(F)ccc2Br)nn1
InChIInChI=1S/C9H7BrFN3O/c10-8-2-1-6(11)3-9(8)14-4-7(5-15)12-13-14/h1-4,15H,5H2
InChIKeyIQGFJNHNCBAENK-UHFFFAOYSA-N
MW272.08 g/mol
LogP1.66
Rot. Bonds2

About [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol

[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol (PubChem CID 21069763) has the molecular formula C9H7BrFN3O and a molecular weight of 272.08 g/mol. Its IUPAC name is [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol
PubChem CID21069763
Molecular FormulaC9H7BrFN3O
Molecular Weight272.08 g/mol
Exact Mass270.98
IUPAC Name[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2cc(F)ccc2Br)nn1
InChIInChI=1S/C9H7BrFN3O/c10-8-2-1-6(11)3-9(8)14-4-7(5-15)12-13-14/h1-4,15H,5H2
InChIKeyIQGFJNHNCBAENK-UHFFFAOYSA-N
XLogP1.66
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol (CID 21069763) is [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol is OCc1cn(-c2cc(F)ccc2Br)nn1.
What is the InChIKey of [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol?
The InChIKey is IQGFJNHNCBAENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3O/c10-8-2-1-6(11)3-9(8)14-4-7(5-15)12-13-14/h1-4,15H,5H2.
What are the key properties of [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol?
[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol has a molecular weight of 272.08 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 21069763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).