1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole

C13H8BrClN4 — CID 107613014

IUPAC1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole
SMILESClc1cc(-n2nnnc2-c2ccccc2)ccc1Br
InChIInChI=1S/C13H8BrClN4/c14-11-7-6-10(8-12(11)15)19-13(16-17-18-19)9-4-2-1-3-5-9/h1-8H
InChIKeyHDBLHQAAWKTWLA-UHFFFAOYSA-N
MW335.59 g/mol
LogP3.75
Rot. Bonds2

About 1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole

1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole (PubChem CID 107613014) has the molecular formula C13H8BrClN4 and a molecular weight of 335.59 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole
PubChem CID107613014
Molecular FormulaC13H8BrClN4
Molecular Weight335.59 g/mol
Exact Mass333.96
IUPAC Name1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole
SMILESClc1cc(-n2nnnc2-c2ccccc2)ccc1Br
InChIInChI=1S/C13H8BrClN4/c14-11-7-6-10(8-12(11)15)19-13(16-17-18-19)9-4-2-1-3-5-9/h1-8H
InChIKeyHDBLHQAAWKTWLA-UHFFFAOYSA-N
XLogP3.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.59
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-chloroaniline
CID 107616336
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline
CID 107616322
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
4-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-3-chloroaniline
CID 107616302
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107616314
2-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-4-chloroaniline
CID 107616313
1-(5-bromo-2-chlorophenyl)-5-phenyltetrazole
CID 62909460
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 107616316
5-(2-chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole
CID 829537
4-(5-phenyltetrazol-1-yl)benzenesulfonamide
CID 57395676
1-(4-bromo-3-chlorophenyl)-5-methyltriazole-4-carboxylic acid
CID 102604866
1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
CID 2799603

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole (CID 107613014) is 1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole is Clc1cc(-n2nnnc2-c2ccccc2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole?
The InChIKey is HDBLHQAAWKTWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN4/c14-11-7-6-10(8-12(11)15)19-13(16-17-18-19)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole?
1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole has a molecular weight of 335.59 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-5-phenyltetrazole is sourced from PubChem (CID 107613014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).