5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole

C8H8BrFN4 — CID 21069927

IUPAC5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole
SMILESCN1NNN=C1c1cc(F)ccc1Br
InChIInChI=1S/C8H8BrFN4/c1-14-8(11-12-13-14)6-4-5(10)2-3-7(6)9/h2-4,12-13H,1H3
InChIKeyGKJNJLAQSYCBGE-UHFFFAOYSA-N
MW259.08 g/mol
LogP1.20
Rot. Bonds1

About 5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole

5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole (PubChem CID 21069927) has the molecular formula C8H8BrFN4 and a molecular weight of 259.08 g/mol. Its IUPAC name is 5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole.

Molecular Properties

Compound Name5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole
PubChem CID21069927
Molecular FormulaC8H8BrFN4
Molecular Weight259.08 g/mol
Exact Mass257.99
IUPAC Name5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole
SMILESCN1NNN=C1c1cc(F)ccc1Br
InChIInChI=1S/C8H8BrFN4/c1-14-8(11-12-13-14)6-4-5(10)2-3-7(6)9/h2-4,12-13H,1H3
InChIKeyGKJNJLAQSYCBGE-UHFFFAOYSA-N
XLogP1.20
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole?
The IUPAC name of 5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole (CID 21069927) is 5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole.
What is the SMILES notation for 5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole?
The canonical SMILES for 5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole is CN1NNN=C1c1cc(F)ccc1Br.
What is the InChIKey of 5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole?
The InChIKey is GKJNJLAQSYCBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN4/c1-14-8(11-12-13-14)6-4-5(10)2-3-7(6)9/h2-4,12-13H,1H3.
What are the key properties of 5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole?
5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole has a molecular weight of 259.08 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-fluorophenyl)-1-methyl-2,3-dihydrotetrazole is sourced from PubChem (CID 21069927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).