(3-azidophenyl)methanol

C7H7N3O — CID 54764213

IUPAC(3-azidophenyl)methanol
SMILES[N-]=[N+]=Nc1cccc(CO)c1
InChIInChI=1S/C7H7N3O/c8-10-9-7-3-1-2-6(4-7)5-11/h1-4,11H,5H2
InChIKeyBBWVHPYOSCPZGJ-UHFFFAOYSA-N
MW149.15 g/mol
LogP2.12
Rot. Bonds2

About (3-azidophenyl)methanol

(3-azidophenyl)methanol (PubChem CID 54764213) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is (3-azidophenyl)methanol.

Molecular Properties

Compound Name(3-azidophenyl)methanol
PubChem CID54764213
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name(3-azidophenyl)methanol
SMILES[N-]=[N+]=Nc1cccc(CO)c1
InChIInChI=1S/C7H7N3O/c8-10-9-7-3-1-2-6(4-7)5-11/h1-4,11H,5H2
InChIKeyBBWVHPYOSCPZGJ-UHFFFAOYSA-N
XLogP2.12
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 52.12
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 (3-azidophenyl)methanol?
The IUPAC name of (3-azidophenyl)methanol (CID 54764213) is (3-azidophenyl)methanol.
What is the SMILES notation for (3-azidophenyl)methanol?
The canonical SMILES for (3-azidophenyl)methanol is [N-]=[N+]=Nc1cccc(CO)c1.
What is the InChIKey of (3-azidophenyl)methanol?
The InChIKey is BBWVHPYOSCPZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-10-9-7-3-1-2-6(4-7)5-11/h1-4,11H,5H2.
What are the key properties of (3-azidophenyl)methanol?
(3-azidophenyl)methanol has a molecular weight of 149.15 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-azidophenyl)methanol is sourced from PubChem (CID 54764213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).