2,6-dibromo-4-(2H-tetrazol-5-yl)phenol

C7H4Br2N4O — CID 137032179

IUPAC2,6-dibromo-4-(2H-tetrazol-5-yl)phenol
SMILESOc1c(Br)cc(-c2nn[nH]n2)cc1Br
InChIInChI=1S/C7H4Br2N4O/c8-4-1-3(2-5(9)6(4)14)7-10-12-13-11-7/h1-2,14H,(H,10,11,12,13)
InChIKeyDQTJODISZGZEJW-UHFFFAOYSA-N
MW319.94 g/mol
LogP2.10
Rot. Bonds1

About 2,6-dibromo-4-(2H-tetrazol-5-yl)phenol

2,6-dibromo-4-(2H-tetrazol-5-yl)phenol (PubChem CID 137032179) has the molecular formula C7H4Br2N4O and a molecular weight of 319.94 g/mol. Its IUPAC name is 2,6-dibromo-4-(2H-tetrazol-5-yl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(2H-tetrazol-5-yl)phenol
PubChem CID137032179
Molecular FormulaC7H4Br2N4O
Molecular Weight319.94 g/mol
Exact Mass317.88
IUPAC Name2,6-dibromo-4-(2H-tetrazol-5-yl)phenol
SMILESOc1c(Br)cc(-c2nn[nH]n2)cc1Br
InChIInChI=1S/C7H4Br2N4O/c8-4-1-3(2-5(9)6(4)14)7-10-12-13-11-7/h1-2,14H,(H,10,11,12,13)
InChIKeyDQTJODISZGZEJW-UHFFFAOYSA-N
XLogP2.10
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.94
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(2H-tetrazol-5-yl)phenol?
The IUPAC name of 2,6-dibromo-4-(2H-tetrazol-5-yl)phenol (CID 137032179) is 2,6-dibromo-4-(2H-tetrazol-5-yl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(2H-tetrazol-5-yl)phenol?
The canonical SMILES for 2,6-dibromo-4-(2H-tetrazol-5-yl)phenol is Oc1c(Br)cc(-c2nn[nH]n2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-(2H-tetrazol-5-yl)phenol?
The InChIKey is DQTJODISZGZEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N4O/c8-4-1-3(2-5(9)6(4)14)7-10-12-13-11-7/h1-2,14H,(H,10,11,12,13).
What are the key properties of 2,6-dibromo-4-(2H-tetrazol-5-yl)phenol?
2,6-dibromo-4-(2H-tetrazol-5-yl)phenol has a molecular weight of 319.94 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(2H-tetrazol-5-yl)phenol is sourced from PubChem (CID 137032179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).