1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole

C10H9BrFN3 — CID 58877867

IUPAC1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole
SMILESCc1nnn(-c2cc(F)ccc2Br)c1C
InChIInChI=1S/C10H9BrFN3/c1-6-7(2)15(14-13-6)10-5-8(12)3-4-9(10)11/h3-5H,1-2H3
InChIKeyVIGILTPEAMQJAQ-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.79
Rot. Bonds1

About 1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole

1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole (PubChem CID 58877867) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole
PubChem CID58877867
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole
SMILESCc1nnn(-c2cc(F)ccc2Br)c1C
InChIInChI=1S/C10H9BrFN3/c1-6-7(2)15(14-13-6)10-5-8(12)3-4-9(10)11/h3-5H,1-2H3
InChIKeyVIGILTPEAMQJAQ-UHFFFAOYSA-N
XLogP2.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole (CID 58877867) is 1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole is Cc1nnn(-c2cc(F)ccc2Br)c1C.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole?
The InChIKey is VIGILTPEAMQJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c1-6-7(2)15(14-13-6)10-5-8(12)3-4-9(10)11/h3-5H,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole?
1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole has a molecular weight of 270.11 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-4,5-dimethyltriazole is sourced from PubChem (CID 58877867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).