2-azido-2-pyridin-4-ylethanol

C7H8N4O — CID 150587460

IUPAC2-azido-2-pyridin-4-ylethanol
SMILES[N-]=[N+]=NC(CO)c1ccncc1
InChIInChI=1S/C7H8N4O/c8-11-10-7(5-12)6-1-3-9-4-2-6/h1-4,7,12H,5H2
InChIKeyIPDPIRWQPQGHMB-UHFFFAOYSA-N
MW164.17 g/mol
LogP1.43
Rot. Bonds3

About 2-azido-2-pyridin-4-ylethanol

2-azido-2-pyridin-4-ylethanol (PubChem CID 150587460) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-azido-2-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-azido-2-pyridin-4-ylethanol
PubChem CID150587460
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-azido-2-pyridin-4-ylethanol
SMILES[N-]=[N+]=NC(CO)c1ccncc1
InChIInChI=1S/C7H8N4O/c8-11-10-7(5-12)6-1-3-9-4-2-6/h1-4,7,12H,5H2
InChIKeyIPDPIRWQPQGHMB-UHFFFAOYSA-N
XLogP1.43
TPSA81.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 51.43
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'}

Analyze 2-azido-2-pyridin-4-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-azido-2-pyridin-4-ylethanol?
The IUPAC name of 2-azido-2-pyridin-4-ylethanol (CID 150587460) is 2-azido-2-pyridin-4-ylethanol.
What is the SMILES notation for 2-azido-2-pyridin-4-ylethanol?
The canonical SMILES for 2-azido-2-pyridin-4-ylethanol is [N-]=[N+]=NC(CO)c1ccncc1.
What is the InChIKey of 2-azido-2-pyridin-4-ylethanol?
The InChIKey is IPDPIRWQPQGHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c8-11-10-7(5-12)6-1-3-9-4-2-6/h1-4,7,12H,5H2.
What are the key properties of 2-azido-2-pyridin-4-ylethanol?
2-azido-2-pyridin-4-ylethanol has a molecular weight of 164.17 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2-pyridin-4-ylethanol is sourced from PubChem (CID 150587460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).