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

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Related Compounds

2,6-dibromo-4-(2H-tetrazol-5-yl)phenol
CID 137032179
2-amino-4-(2H-tetrazol-5-yl)phenol
CID 135648881
5-(4-bromo-3-fluorophenyl)-2H-tetrazole
CID 131599403
CID 175020702
CID 175020702
5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole
CID 23540974
4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol
CID 136929552
5-(3,4-difluorophenyl)-2H-tetrazole
CID 43658630
5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593238
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
1-[3,5-bis(trifluoromethyl)phenyl]-1-[2-bromo-4-(2H-tetrazol-5-yl)phenyl]urea
CID 87958845
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 146430659

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).