indazol-1-yl formate

C8H6N2O2 — CID 57079920

IUPACindazol-1-yl formate
SMILESO=COn1ncc2ccccc21
InChIInChI=1S/C8H6N2O2/c11-6-12-10-8-4-2-1-3-7(8)5-9-10/h1-6H
InChIKeyDPQJFLGVRMTJQE-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.62
Rot. Bonds2

About indazol-1-yl formate

indazol-1-yl formate (PubChem CID 57079920) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is indazol-1-yl formate.

Molecular Properties

Compound Nameindazol-1-yl formate
PubChem CID57079920
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Nameindazol-1-yl formate
SMILESO=COn1ncc2ccccc21
InChIInChI=1S/C8H6N2O2/c11-6-12-10-8-4-2-1-3-7(8)5-9-10/h1-6H
InChIKeyDPQJFLGVRMTJQE-UHFFFAOYSA-N
XLogP0.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of indazol-1-yl formate?
The IUPAC name of indazol-1-yl formate (CID 57079920) is indazol-1-yl formate.
What is the SMILES notation for indazol-1-yl formate?
The canonical SMILES for indazol-1-yl formate is O=COn1ncc2ccccc21.
What is the InChIKey of indazol-1-yl formate?
The InChIKey is DPQJFLGVRMTJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-6-12-10-8-4-2-1-3-7(8)5-9-10/h1-6H.
What are the key properties of indazol-1-yl formate?
indazol-1-yl formate has a molecular weight of 162.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for indazol-1-yl formate is sourced from PubChem (CID 57079920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).