(2-azidophenyl)methyl hydrogen carbonate

C8H7N3O3 — CID 137349825

IUPAC(2-azidophenyl)methyl hydrogen carbonate
SMILES[N-]=[N+]=Nc1ccccc1COC(=O)O
InChIInChI=1S/C8H7N3O3/c9-11-10-7-4-2-1-3-6(7)5-14-8(12)13/h1-4H,5H2,(H,12,13)
InChIKeyYHJYQHHCLBKKKY-UHFFFAOYSA-N
MW193.16 g/mol
LogP2.82
Rot. Bonds3

About (2-azidophenyl)methyl hydrogen carbonate

(2-azidophenyl)methyl hydrogen carbonate (PubChem CID 137349825) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is (2-azidophenyl)methyl hydrogen carbonate.

Molecular Properties

Compound Name(2-azidophenyl)methyl hydrogen carbonate
PubChem CID137349825
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name(2-azidophenyl)methyl hydrogen carbonate
SMILES[N-]=[N+]=Nc1ccccc1COC(=O)O
InChIInChI=1S/C8H7N3O3/c9-11-10-7-4-2-1-3-6(7)5-14-8(12)13/h1-4H,5H2,(H,12,13)
InChIKeyYHJYQHHCLBKKKY-UHFFFAOYSA-N
XLogP2.82
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 52.82
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-azidophenyl)methyl hydrogen carbonate 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-azidophenyl)methyl hydrogen carbonate?
The IUPAC name of (2-azidophenyl)methyl hydrogen carbonate (CID 137349825) is (2-azidophenyl)methyl hydrogen carbonate.
What is the SMILES notation for (2-azidophenyl)methyl hydrogen carbonate?
The canonical SMILES for (2-azidophenyl)methyl hydrogen carbonate is [N-]=[N+]=Nc1ccccc1COC(=O)O.
What is the InChIKey of (2-azidophenyl)methyl hydrogen carbonate?
The InChIKey is YHJYQHHCLBKKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c9-11-10-7-4-2-1-3-6(7)5-14-8(12)13/h1-4H,5H2,(H,12,13).
What are the key properties of (2-azidophenyl)methyl hydrogen carbonate?
(2-azidophenyl)methyl hydrogen carbonate has a molecular weight of 193.16 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azidophenyl)methyl hydrogen carbonate is sourced from PubChem (CID 137349825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).