[3-azido-5-(hydroxymethyl)phenyl]methanol

C8H9N3O2 — CID 86006233

IUPAC[3-azido-5-(hydroxymethyl)phenyl]methanol
SMILES[N-]=[N+]=Nc1cc(CO)cc(CO)c1
InChIInChI=1S/C8H9N3O2/c9-11-10-8-2-6(4-12)1-7(3-8)5-13/h1-3,12-13H,4-5H2
InChIKeyDNJBSELYUSDXGM-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.61
Rot. Bonds3

About [3-azido-5-(hydroxymethyl)phenyl]methanol

[3-azido-5-(hydroxymethyl)phenyl]methanol (PubChem CID 86006233) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is [3-azido-5-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-azido-5-(hydroxymethyl)phenyl]methanol
PubChem CID86006233
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name[3-azido-5-(hydroxymethyl)phenyl]methanol
SMILES[N-]=[N+]=Nc1cc(CO)cc(CO)c1
InChIInChI=1S/C8H9N3O2/c9-11-10-8-2-6(4-12)1-7(3-8)5-13/h1-3,12-13H,4-5H2
InChIKeyDNJBSELYUSDXGM-UHFFFAOYSA-N
XLogP1.61
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-azido-5-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [3-azido-5-(hydroxymethyl)phenyl]methanol (CID 86006233) is [3-azido-5-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [3-azido-5-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [3-azido-5-(hydroxymethyl)phenyl]methanol is [N-]=[N+]=Nc1cc(CO)cc(CO)c1.
What is the InChIKey of [3-azido-5-(hydroxymethyl)phenyl]methanol?
The InChIKey is DNJBSELYUSDXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-11-10-8-2-6(4-12)1-7(3-8)5-13/h1-3,12-13H,4-5H2.
What are the key properties of [3-azido-5-(hydroxymethyl)phenyl]methanol?
[3-azido-5-(hydroxymethyl)phenyl]methanol has a molecular weight of 179.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-azido-5-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 86006233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).