5-azido-2-methylphenol

C7H7N3O — CID 90382117

IUPAC5-azido-2-methylphenol
SMILESCc1ccc(N=[N+]=[N-])cc1O
InChIInChI=1S/C7H7N3O/c1-5-2-3-6(9-10-8)4-7(5)11/h2-4,11H,1H3
InChIKeyOKDUBUXKHNFJDI-UHFFFAOYSA-N
MW149.15 g/mol
LogP2.64
Rot. Bonds1

About 5-azido-2-methylphenol

5-azido-2-methylphenol (PubChem CID 90382117) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-azido-2-methylphenol.

Molecular Properties

Compound Name5-azido-2-methylphenol
PubChem CID90382117
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name5-azido-2-methylphenol
SMILESCc1ccc(N=[N+]=[N-])cc1O
InChIInChI=1S/C7H7N3O/c1-5-2-3-6(9-10-8)4-7(5)11/h2-4,11H,1H3
InChIKeyOKDUBUXKHNFJDI-UHFFFAOYSA-N
XLogP2.64
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-azido-2-methylphenol?
The IUPAC name of 5-azido-2-methylphenol (CID 90382117) is 5-azido-2-methylphenol.
What is the SMILES notation for 5-azido-2-methylphenol?
The canonical SMILES for 5-azido-2-methylphenol is Cc1ccc(N=[N+]=[N-])cc1O.
What is the InChIKey of 5-azido-2-methylphenol?
The InChIKey is OKDUBUXKHNFJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-5-2-3-6(9-10-8)4-7(5)11/h2-4,11H,1H3.
What are the key properties of 5-azido-2-methylphenol?
5-azido-2-methylphenol has a molecular weight of 149.15 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-methylphenol is sourced from PubChem (CID 90382117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).