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

C7H5BrN4O — CID 135859940

IUPAC2-bromo-4-(2H-tetrazol-5-yl)phenol
SMILESOc1ccc(-c2nn[nH]n2)cc1Br
InChIInChI=1S/C7H5BrN4O/c8-5-3-4(1-2-6(5)13)7-9-11-12-10-7/h1-3,13H,(H,9,10,11,12)
InChIKeyJTBSPKBETYFZKP-UHFFFAOYSA-N
MW241.05 g/mol
LogP1.33
Rot. Bonds1

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

2-bromo-4-(2H-tetrazol-5-yl)phenol (PubChem CID 135859940) has the molecular formula C7H5BrN4O and a molecular weight of 241.05 g/mol. Its IUPAC name is 2-bromo-4-(2H-tetrazol-5-yl)phenol.

Molecular Properties

Compound Name2-bromo-4-(2H-tetrazol-5-yl)phenol
PubChem CID135859940
Molecular FormulaC7H5BrN4O
Molecular Weight241.05 g/mol
Exact Mass239.96
IUPAC Name2-bromo-4-(2H-tetrazol-5-yl)phenol
SMILESOc1ccc(-c2nn[nH]n2)cc1Br
InChIInChI=1S/C7H5BrN4O/c8-5-3-4(1-2-6(5)13)7-9-11-12-10-7/h1-3,13H,(H,9,10,11,12)
InChIKeyJTBSPKBETYFZKP-UHFFFAOYSA-N
XLogP1.33
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-bromo-4-(2H-tetrazol-5-yl)phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2H-tetrazol-5-yl)phenol?
The IUPAC name of 2-bromo-4-(2H-tetrazol-5-yl)phenol (CID 135859940) is 2-bromo-4-(2H-tetrazol-5-yl)phenol.
What is the SMILES notation for 2-bromo-4-(2H-tetrazol-5-yl)phenol?
The canonical SMILES for 2-bromo-4-(2H-tetrazol-5-yl)phenol is Oc1ccc(-c2nn[nH]n2)cc1Br.
What is the InChIKey of 2-bromo-4-(2H-tetrazol-5-yl)phenol?
The InChIKey is JTBSPKBETYFZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4O/c8-5-3-4(1-2-6(5)13)7-9-11-12-10-7/h1-3,13H,(H,9,10,11,12).
What are the key properties of 2-bromo-4-(2H-tetrazol-5-yl)phenol?
2-bromo-4-(2H-tetrazol-5-yl)phenol has a molecular weight of 241.05 g/mol, XLogP of 1.33, 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)phenol is sourced from PubChem (CID 135859940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).