4-nitro-2-(tetrazol-1-yl)phenol

C7H5N5O3 — CID 1418906

IUPAC4-nitro-2-(tetrazol-1-yl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(-n2cnnn2)c1
InChIInChI=1S/C7H5N5O3/c13-7-2-1-5(12(14)15)3-6(7)11-4-8-9-10-11/h1-4,13H
InChIKeyWTSJYDYLGYNHRZ-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.28
Rot. Bonds2

About 4-nitro-2-(tetrazol-1-yl)phenol

4-nitro-2-(tetrazol-1-yl)phenol (PubChem CID 1418906) has the molecular formula C7H5N5O3 and a molecular weight of 207.15 g/mol. Its IUPAC name is 4-nitro-2-(tetrazol-1-yl)phenol.

Molecular Properties

Compound Name4-nitro-2-(tetrazol-1-yl)phenol
PubChem CID1418906
Molecular FormulaC7H5N5O3
Molecular Weight207.15 g/mol
Exact Mass207.04
IUPAC Name4-nitro-2-(tetrazol-1-yl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(-n2cnnn2)c1
InChIInChI=1S/C7H5N5O3/c13-7-2-1-5(12(14)15)3-6(7)11-4-8-9-10-11/h1-4,13H
InChIKeyWTSJYDYLGYNHRZ-UHFFFAOYSA-N
XLogP0.28
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(tetrazol-1-yl)phenol?
The IUPAC name of 4-nitro-2-(tetrazol-1-yl)phenol (CID 1418906) is 4-nitro-2-(tetrazol-1-yl)phenol.
What is the SMILES notation for 4-nitro-2-(tetrazol-1-yl)phenol?
The canonical SMILES for 4-nitro-2-(tetrazol-1-yl)phenol is O=[N+]([O-])c1ccc(O)c(-n2cnnn2)c1.
What is the InChIKey of 4-nitro-2-(tetrazol-1-yl)phenol?
The InChIKey is WTSJYDYLGYNHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O3/c13-7-2-1-5(12(14)15)3-6(7)11-4-8-9-10-11/h1-4,13H.
What are the key properties of 4-nitro-2-(tetrazol-1-yl)phenol?
4-nitro-2-(tetrazol-1-yl)phenol has a molecular weight of 207.15 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(tetrazol-1-yl)phenol is sourced from PubChem (CID 1418906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).