1-(4-bromo-2-fluorophenyl)-5-methyltetrazole

C8H6BrFN4 — CID 43617296

IUPAC1-(4-bromo-2-fluorophenyl)-5-methyltetrazole
SMILESCc1nnnn1-c1ccc(Br)cc1F
InChIInChI=1S/C8H6BrFN4/c1-5-11-12-13-14(5)8-3-2-6(9)4-7(8)10/h2-4H,1H3
InChIKeyURXRJQYULONXOF-UHFFFAOYSA-N
MW257.07 g/mol
LogP1.87
Rot. Bonds1

About 1-(4-bromo-2-fluorophenyl)-5-methyltetrazole

1-(4-bromo-2-fluorophenyl)-5-methyltetrazole (PubChem CID 43617296) has the molecular formula C8H6BrFN4 and a molecular weight of 257.07 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-5-methyltetrazole.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-5-methyltetrazole
PubChem CID43617296
Molecular FormulaC8H6BrFN4
Molecular Weight257.07 g/mol
Exact Mass255.98
IUPAC Name1-(4-bromo-2-fluorophenyl)-5-methyltetrazole
SMILESCc1nnnn1-c1ccc(Br)cc1F
InChIInChI=1S/C8H6BrFN4/c1-5-11-12-13-14(5)8-3-2-6(9)4-7(8)10/h2-4H,1H3
InChIKeyURXRJQYULONXOF-UHFFFAOYSA-N
XLogP1.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-methyltetrazole?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-methyltetrazole (CID 43617296) is 1-(4-bromo-2-fluorophenyl)-5-methyltetrazole.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-5-methyltetrazole?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-5-methyltetrazole is Cc1nnnn1-c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-5-methyltetrazole?
The InChIKey is URXRJQYULONXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN4/c1-5-11-12-13-14(5)8-3-2-6(9)4-7(8)10/h2-4H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-5-methyltetrazole?
1-(4-bromo-2-fluorophenyl)-5-methyltetrazole has a molecular weight of 257.07 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-5-methyltetrazole is sourced from PubChem (CID 43617296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).