(4-azidophenyl) formate

C7H5N3O2 — CID 150326608

IUPAC(4-azidophenyl) formate
SMILES[N-]=[N+]=Nc1ccc(OC=O)cc1
InChIInChI=1S/C7H5N3O2/c8-10-9-6-1-3-7(4-2-6)12-5-11/h1-5H
InChIKeyGOTXWGXZLKSFCB-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.16
Rot. Bonds3

About (4-azidophenyl) formate

(4-azidophenyl) formate (PubChem CID 150326608) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is (4-azidophenyl) formate.

Molecular Properties

Compound Name(4-azidophenyl) formate
PubChem CID150326608
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name(4-azidophenyl) formate
SMILES[N-]=[N+]=Nc1ccc(OC=O)cc1
InChIInChI=1S/C7H5N3O2/c8-10-9-6-1-3-7(4-2-6)12-5-11/h1-5H
InChIKeyGOTXWGXZLKSFCB-UHFFFAOYSA-N
XLogP2.16
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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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Related Compounds

CID 175806495
CID 175806495
3-azido-5-formyloxybenzoic acid
CID 118214775
4-[2-(4-azidophenyl)ethenyl]benzaldehyde
CID 4829281
(4-tert-butylphenyl) formate
CID 15727718
4-azido-N-(4-methoxyphenyl)aniline
CID 18432095
N-(4-azidophenyl)methanimine
CID 118548766
1-azido-4-(18F)fluorobenzene
CID 15186747
1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione
CID 20572000
3-(4-azidophenoxy)oxetane
CID 146635962
λ2-plumbane;phenyl formate
CID 174910364
(4-azidophenyl)arsonic acid
CID 3246304
4-azidobenzenesulfonamide
CID 3558590

Frequently Asked Questions

What is the IUPAC name of (4-azidophenyl) formate?
The IUPAC name of (4-azidophenyl) formate (CID 150326608) is (4-azidophenyl) formate.
What is the SMILES notation for (4-azidophenyl) formate?
The canonical SMILES for (4-azidophenyl) formate is [N-]=[N+]=Nc1ccc(OC=O)cc1.
What is the InChIKey of (4-azidophenyl) formate?
The InChIKey is GOTXWGXZLKSFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c8-10-9-6-1-3-7(4-2-6)12-5-11/h1-5H.
What are the key properties of (4-azidophenyl) formate?
(4-azidophenyl) formate has a molecular weight of 163.14 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azidophenyl) formate is sourced from PubChem (CID 150326608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).