2-bromo-4-(2H-tetrazol-5-yl)aniline

C7H6BrN5 — CID 68882271

IUPAC2-bromo-4-(2H-tetrazol-5-yl)aniline
SMILESNc1ccc(-c2nn[nH]n2)cc1Br
InChIInChI=1S/C7H6BrN5/c8-5-3-4(1-2-6(5)9)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
InChIKeyGOKGLPRDVZMUAE-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.21
Rot. Bonds1

About 2-bromo-4-(2H-tetrazol-5-yl)aniline

2-bromo-4-(2H-tetrazol-5-yl)aniline (PubChem CID 68882271) has the molecular formula C7H6BrN5 and a molecular weight of 240.06 g/mol. Its IUPAC name is 2-bromo-4-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound Name2-bromo-4-(2H-tetrazol-5-yl)aniline
PubChem CID68882271
Molecular FormulaC7H6BrN5
Molecular Weight240.06 g/mol
Exact Mass238.98
IUPAC Name2-bromo-4-(2H-tetrazol-5-yl)aniline
SMILESNc1ccc(-c2nn[nH]n2)cc1Br
InChIInChI=1S/C7H6BrN5/c8-5-3-4(1-2-6(5)9)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
InChIKeyGOKGLPRDVZMUAE-UHFFFAOYSA-N
XLogP1.21
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2H-tetrazol-5-yl)aniline?
The IUPAC name of 2-bromo-4-(2H-tetrazol-5-yl)aniline (CID 68882271) is 2-bromo-4-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for 2-bromo-4-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for 2-bromo-4-(2H-tetrazol-5-yl)aniline is Nc1ccc(-c2nn[nH]n2)cc1Br.
What is the InChIKey of 2-bromo-4-(2H-tetrazol-5-yl)aniline?
The InChIKey is GOKGLPRDVZMUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5/c8-5-3-4(1-2-6(5)9)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13).
What are the key properties of 2-bromo-4-(2H-tetrazol-5-yl)aniline?
2-bromo-4-(2H-tetrazol-5-yl)aniline has a molecular weight of 240.06 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 68882271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).