2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline

C13H9BrClN5 — CID 61353220

IUPAC2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline
SMILESNc1ccccc1-c1nnnn1-c1ccc(Br)cc1Cl
InChIInChI=1S/C13H9BrClN5/c14-8-5-6-12(10(15)7-8)20-13(17-18-19-20)9-3-1-2-4-11(9)16/h1-7H,16H2
InChIKeyLPDBEKFXAZFSHX-UHFFFAOYSA-N
MW350.61 g/mol
LogP3.33
Rot. Bonds2

About 2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline

2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline (PubChem CID 61353220) has the molecular formula C13H9BrClN5 and a molecular weight of 350.61 g/mol. Its IUPAC name is 2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline
PubChem CID61353220
Molecular FormulaC13H9BrClN5
Molecular Weight350.61 g/mol
Exact Mass348.97
IUPAC Name2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline
SMILESNc1ccccc1-c1nnnn1-c1ccc(Br)cc1Cl
InChIInChI=1S/C13H9BrClN5/c14-8-5-6-12(10(15)7-8)20-13(17-18-19-20)9-3-1-2-4-11(9)16/h1-7H,16H2
InChIKeyLPDBEKFXAZFSHX-UHFFFAOYSA-N
XLogP3.33
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.61
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline 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

4-Chloro-2-[1-(3-fluorophenyl)tetrazol-5-yl]aniline
CID 61351449
2-[1-(4-Bromo-2-fluorophenyl)tetrazol-5-yl]aniline
CID 61351627
2-[1-(2,5-Dichlorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61351682
3-[1-(4-Bromo-2-fluorophenyl)tetrazol-5-yl]aniline
CID 61351812
4-[1-(4-Bromo-2-fluorophenyl)tetrazol-5-yl]aniline
CID 61352202
5-Chloro-2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61352240
4-Chloro-2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline
CID 61352289
2-[1-(2-Chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61352419
4-[1-(2-Chloro-4-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61352439
4-Chloro-2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61352440
3-[1-(2-Chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61352614
2-[1-(2-Chloro-4-fluorophenyl)tetrazol-5-yl]-6-methylaniline
CID 61352644

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline (CID 61353220) is 2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline is Nc1ccccc1-c1nnnn1-c1ccc(Br)cc1Cl.
What is the InChIKey of 2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline?
The InChIKey is LPDBEKFXAZFSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN5/c14-8-5-6-12(10(15)7-8)20-13(17-18-19-20)9-3-1-2-4-11(9)16/h1-7H,16H2.
What are the key properties of 2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline?
2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline has a molecular weight of 350.61 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61353220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).