2-[2-(bromomethyl)phenyl]-5-phenyltetrazole

C14H11BrN4 — CID 107085646

IUPAC2-[2-(bromomethyl)phenyl]-5-phenyltetrazole
SMILESBrCc1ccccc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H11BrN4/c15-10-12-8-4-5-9-13(12)19-17-14(16-18-19)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyWZSGSKWRAQYJLF-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.22
Rot. Bonds3

About 2-[2-(bromomethyl)phenyl]-5-phenyltetrazole

2-[2-(bromomethyl)phenyl]-5-phenyltetrazole (PubChem CID 107085646) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[2-(bromomethyl)phenyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[2-(bromomethyl)phenyl]-5-phenyltetrazole
PubChem CID107085646
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name2-[2-(bromomethyl)phenyl]-5-phenyltetrazole
SMILESBrCc1ccccc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H11BrN4/c15-10-12-8-4-5-9-13(12)19-17-14(16-18-19)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyWZSGSKWRAQYJLF-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylphenyl)-5-phenyltetrazole
CID 23606527
2-(2,3-dimethylphenyl)-5-phenyltetrazole
CID 54119212
1-[4-bromo-2-(5-phenyltetrazol-2-yl)phenyl]ethanamine
CID 82953540
2-[4-chloro-2-(5-phenyltetrazol-2-yl)phenyl]ethanamine
CID 114862330
2-fluoro-6-(5-phenyltetrazol-2-yl)benzonitrile
CID 78911068
[4-methyl-3-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 105406132
[3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 62125454
5-(4-bromophenyl)-2-phenyltetrazole
CID 11370072
2-(furan-2-yl)-5-phenyltetrazole
CID 66611423
2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine
CID 81159918
5-fluoro-2-(5-phenyltetrazol-2-yl)benzonitrile
CID 63668025
3-(difluoromethyl)-4-(5-phenyltetrazol-2-yl)aniline
CID 63735834

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)phenyl]-5-phenyltetrazole?
The IUPAC name of 2-[2-(bromomethyl)phenyl]-5-phenyltetrazole (CID 107085646) is 2-[2-(bromomethyl)phenyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[2-(bromomethyl)phenyl]-5-phenyltetrazole?
The canonical SMILES for 2-[2-(bromomethyl)phenyl]-5-phenyltetrazole is BrCc1ccccc1-n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-[2-(bromomethyl)phenyl]-5-phenyltetrazole?
The InChIKey is WZSGSKWRAQYJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-10-12-8-4-5-9-13(12)19-17-14(16-18-19)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-[2-(bromomethyl)phenyl]-5-phenyltetrazole?
2-[2-(bromomethyl)phenyl]-5-phenyltetrazole has a molecular weight of 315.17 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)phenyl]-5-phenyltetrazole is sourced from PubChem (CID 107085646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).