2-[(2-bromophenyl)methyl]-5-phenyltetrazole

C14H11BrN4 — CID 726073

IUPAC2-[(2-bromophenyl)methyl]-5-phenyltetrazole
SMILESBrc1ccccc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H11BrN4/c15-13-9-5-4-8-12(13)10-19-17-14(16-18-19)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyIKDIKTLBIFREPH-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.15
Rot. Bonds3

About 2-[(2-bromophenyl)methyl]-5-phenyltetrazole

2-[(2-bromophenyl)methyl]-5-phenyltetrazole (PubChem CID 726073) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-5-phenyltetrazole
PubChem CID726073
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name2-[(2-bromophenyl)methyl]-5-phenyltetrazole
SMILESBrc1ccccc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H11BrN4/c15-13-9-5-4-8-12(13)10-19-17-14(16-18-19)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyIKDIKTLBIFREPH-UHFFFAOYSA-N
XLogP3.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-5-phenyltetrazole?
The IUPAC name of 2-[(2-bromophenyl)methyl]-5-phenyltetrazole (CID 726073) is 2-[(2-bromophenyl)methyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-5-phenyltetrazole?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-5-phenyltetrazole is Brc1ccccc1Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-5-phenyltetrazole?
The InChIKey is IKDIKTLBIFREPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-13-9-5-4-8-12(13)10-19-17-14(16-18-19)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-5-phenyltetrazole?
2-[(2-bromophenyl)methyl]-5-phenyltetrazole has a molecular weight of 315.17 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-5-phenyltetrazole is sourced from PubChem (CID 726073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).