2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole

C15H12BrFN4 — CID 16590962

IUPAC2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-c1nnn(Cc2ccc(F)cc2Br)n1
InChIInChI=1S/C15H12BrFN4/c1-10-4-2-3-5-13(10)15-18-20-21(19-15)9-11-6-7-12(17)8-14(11)16/h2-8H,9H2,1H3
InChIKeyUWCYTIFEYYMVCP-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.60
Rot. Bonds3

About 2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole

2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole (PubChem CID 16590962) has the molecular formula C15H12BrFN4 and a molecular weight of 347.19 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole
PubChem CID16590962
Molecular FormulaC15H12BrFN4
Molecular Weight347.19 g/mol
Exact Mass346.02
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-c1nnn(Cc2ccc(F)cc2Br)n1
InChIInChI=1S/C15H12BrFN4/c1-10-4-2-3-5-13(10)15-18-20-21(19-15)9-11-6-7-12(17)8-14(11)16/h2-8H,9H2,1H3
InChIKeyUWCYTIFEYYMVCP-UHFFFAOYSA-N
XLogP3.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole (CID 16590962) is 2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole is Cc1ccccc1-c1nnn(Cc2ccc(F)cc2Br)n1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole?
The InChIKey is UWCYTIFEYYMVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4/c1-10-4-2-3-5-13(10)15-18-20-21(19-15)9-11-6-7-12(17)8-14(11)16/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole?
2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole has a molecular weight of 347.19 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole is sourced from PubChem (CID 16590962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).