[5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium

C14H10BrN4Tl — CID 142071458

IUPAC[5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium
SMILESBrCc1ccc(-c2ccccc2-c2nnn([Tl])n2)cc1
InChIInChI=1S/C14H10BrN4.Tl/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-16-18-19-17-14;/h1-8H,9H2;/q-1;+1
InChIKeyGYCHFMFXXWGYSB-UHFFFAOYSA-N
MW518.55 g/mol
LogP2.83
Rot. Bonds3

About [5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium

[5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium (PubChem CID 142071458) has the molecular formula C14H10BrN4Tl and a molecular weight of 518.55 g/mol. Its IUPAC name is [5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium.

Molecular Properties

Compound Name[5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium
PubChem CID142071458
Molecular FormulaC14H10BrN4Tl
Molecular Weight518.55 g/mol
Exact Mass517.98
IUPAC Name[5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium
SMILESBrCc1ccc(-c2ccccc2-c2nnn([Tl])n2)cc1
InChIInChI=1S/C14H10BrN4.Tl/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-16-18-19-17-14;/h1-8H,9H2;/q-1;+1
InChIKeyGYCHFMFXXWGYSB-UHFFFAOYSA-N
XLogP2.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.55
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene
CID 3611718
5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole
CID 57273245
1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
5-[2-[4-(bromomethyl)-3-fluorophenyl]phenyl]-2-trityltetrazole
CID 67921408
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
N-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-amine
CID 139605876
5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole
CID 10546069
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole
CID 67690185
5-(2-phenylphenyl)-2-(2-phenylpropan-2-yl)tetrazole
CID 10640908
5-[2-[4-[(4-butylimidazol-1-yl)methyl]phenyl]phenyl]-2-trityltetrazole
CID 10054317
1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane
CID 145424185
1-(bromomethyl)-3-(2-phenylphenyl)benzene
CID 67009845

Frequently Asked Questions

What is the IUPAC name of [5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium?
The IUPAC name of [5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium (CID 142071458) is [5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium.
What is the SMILES notation for [5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium?
The canonical SMILES for [5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium is BrCc1ccc(-c2ccccc2-c2nnn([Tl])n2)cc1.
What is the InChIKey of [5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium?
The InChIKey is GYCHFMFXXWGYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN4.Tl/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-16-18-19-17-14;/h1-8H,9H2;/q-1;+1.
What are the key properties of [5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium?
[5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium has a molecular weight of 518.55 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium is sourced from PubChem (CID 142071458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).