(3,5-diazidophenyl)methanol

C7H6N6O — CID 139246410

IUPAC(3,5-diazidophenyl)methanol
SMILES[N-]=[N+]=Nc1cc(CO)cc(N=[N+]=[N-])c1
InChIInChI=1S/C7H6N6O/c8-12-10-6-1-5(4-14)2-7(3-6)11-13-9/h1-3,14H,4H2
InChIKeyVTXLUVLUCBSTRZ-UHFFFAOYSA-N
MW190.17 g/mol
LogP3.06
Rot. Bonds3

About (3,5-diazidophenyl)methanol

(3,5-diazidophenyl)methanol (PubChem CID 139246410) has the molecular formula C7H6N6O and a molecular weight of 190.17 g/mol. Its IUPAC name is (3,5-diazidophenyl)methanol.

Molecular Properties

Compound Name(3,5-diazidophenyl)methanol
PubChem CID139246410
Molecular FormulaC7H6N6O
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name(3,5-diazidophenyl)methanol
SMILES[N-]=[N+]=Nc1cc(CO)cc(N=[N+]=[N-])c1
InChIInChI=1S/C7H6N6O/c8-12-10-6-1-5(4-14)2-7(3-6)11-13-9/h1-3,14H,4H2
InChIKeyVTXLUVLUCBSTRZ-UHFFFAOYSA-N
XLogP3.06
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 53.06
H-Bond Donors ≤ 51
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 (3,5-diazidophenyl)methanol?
The IUPAC name of (3,5-diazidophenyl)methanol (CID 139246410) is (3,5-diazidophenyl)methanol.
What is the SMILES notation for (3,5-diazidophenyl)methanol?
The canonical SMILES for (3,5-diazidophenyl)methanol is [N-]=[N+]=Nc1cc(CO)cc(N=[N+]=[N-])c1.
What is the InChIKey of (3,5-diazidophenyl)methanol?
The InChIKey is VTXLUVLUCBSTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O/c8-12-10-6-1-5(4-14)2-7(3-6)11-13-9/h1-3,14H,4H2.
What are the key properties of (3,5-diazidophenyl)methanol?
(3,5-diazidophenyl)methanol has a molecular weight of 190.17 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diazidophenyl)methanol is sourced from PubChem (CID 139246410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).