1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole

C9H7BrFN3 — CID 58877845

IUPAC1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole
SMILESCc1ncnn1-c1cc(F)ccc1Br
InChIInChI=1S/C9H7BrFN3/c1-6-12-5-13-14(6)9-4-7(11)2-3-8(9)10/h2-5H,1H3
InChIKeyYWDQGBKPLDEDJD-UHFFFAOYSA-N
MW256.08 g/mol
LogP2.48
Rot. Bonds1

About 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole

1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole (PubChem CID 58877845) has the molecular formula C9H7BrFN3 and a molecular weight of 256.08 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole
PubChem CID58877845
Molecular FormulaC9H7BrFN3
Molecular Weight256.08 g/mol
Exact Mass254.98
IUPAC Name1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole
SMILESCc1ncnn1-c1cc(F)ccc1Br
InChIInChI=1S/C9H7BrFN3/c1-6-12-5-13-14(6)9-4-7(11)2-3-8(9)10/h2-5H,1H3
InChIKeyYWDQGBKPLDEDJD-UHFFFAOYSA-N
XLogP2.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 52.48
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)-5-methyl-1,2,4-triazole?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole (CID 58877845) is 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole is Cc1ncnn1-c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole?
The InChIKey is YWDQGBKPLDEDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3/c1-6-12-5-13-14(6)9-4-7(11)2-3-8(9)10/h2-5H,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole?
1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole has a molecular weight of 256.08 g/mol, XLogP of 2.48, 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)-5-methyl-1,2,4-triazole is sourced from PubChem (CID 58877845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).