1H-indazole;methyl formate

C9H10N2O2 — CID 174916926

IUPAC1H-indazole;methyl formate
SMILESCOC=O.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.C2H4O2/c1-2-4-7-6(3-1)5-8-9-7;1-4-2-3/h1-5H,(H,8,9);2H,1H3
InChIKeyQJPDMKIPQCITAM-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.35
Rot. Bonds1

About 1H-indazole;methyl formate

1H-indazole;methyl formate (PubChem CID 174916926) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1H-indazole;methyl formate.

Molecular Properties

Compound Name1H-indazole;methyl formate
PubChem CID174916926
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1H-indazole;methyl formate
SMILESCOC=O.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.C2H4O2/c1-2-4-7-6(3-1)5-8-9-7;1-4-2-3/h1-5H,(H,8,9);2H,1H3
InChIKeyQJPDMKIPQCITAM-UHFFFAOYSA-N
XLogP1.35
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1H-indazole;methyl formate 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 1H-indazole;methyl formate?
The IUPAC name of 1H-indazole;methyl formate (CID 174916926) is 1H-indazole;methyl formate.
What is the SMILES notation for 1H-indazole;methyl formate?
The canonical SMILES for 1H-indazole;methyl formate is COC=O.c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole;methyl formate?
The InChIKey is QJPDMKIPQCITAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C2H4O2/c1-2-4-7-6(3-1)5-8-9-7;1-4-2-3/h1-5H,(H,8,9);2H,1H3.
What are the key properties of 1H-indazole;methyl formate?
1H-indazole;methyl formate has a molecular weight of 178.19 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole;methyl formate is sourced from PubChem (CID 174916926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).