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

C7H5N5O3 — CID 3407488

IUPAC4-nitro-2-(2H-tetrazol-5-yl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(-c2nn[nH]n2)c1
InChIInChI=1S/C7H5N5O3/c13-6-2-1-4(12(14)15)3-5(6)7-8-10-11-9-7/h1-3,13H,(H,8,9,10,11)
InChIKeyKNWYHWNXNWMIMD-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.48
Rot. Bonds2

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

4-nitro-2-(2H-tetrazol-5-yl)phenol (PubChem CID 3407488) has the molecular formula C7H5N5O3 and a molecular weight of 207.15 g/mol. Its IUPAC name is 4-nitro-2-(2H-tetrazol-5-yl)phenol.

Molecular Properties

Compound Name4-nitro-2-(2H-tetrazol-5-yl)phenol
PubChem CID3407488
Molecular FormulaC7H5N5O3
Molecular Weight207.15 g/mol
Exact Mass207.04
IUPAC Name4-nitro-2-(2H-tetrazol-5-yl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(-c2nn[nH]n2)c1
InChIInChI=1S/C7H5N5O3/c13-6-2-1-4(12(14)15)3-5(6)7-8-10-11-9-7/h1-3,13H,(H,8,9,10,11)
InChIKeyKNWYHWNXNWMIMD-UHFFFAOYSA-N
XLogP0.48
TPSA117.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2H-tetrazol-5-yl)phenol?
The IUPAC name of 4-nitro-2-(2H-tetrazol-5-yl)phenol (CID 3407488) is 4-nitro-2-(2H-tetrazol-5-yl)phenol.
What is the SMILES notation for 4-nitro-2-(2H-tetrazol-5-yl)phenol?
The canonical SMILES for 4-nitro-2-(2H-tetrazol-5-yl)phenol is O=[N+]([O-])c1ccc(O)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-nitro-2-(2H-tetrazol-5-yl)phenol?
The InChIKey is KNWYHWNXNWMIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O3/c13-6-2-1-4(12(14)15)3-5(6)7-8-10-11-9-7/h1-3,13H,(H,8,9,10,11).
What are the key properties of 4-nitro-2-(2H-tetrazol-5-yl)phenol?
4-nitro-2-(2H-tetrazol-5-yl)phenol has a molecular weight of 207.15 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(2H-tetrazol-5-yl)phenol is sourced from PubChem (CID 3407488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).