formic acid;1H-indazole

C8H8N2O2 — CID 69150703

IUPACformic acid;1H-indazole
SMILESO=CO.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.CH2O2/c1-2-4-7-6(3-1)5-8-9-7;2-1-3/h1-5H,(H,8,9);1H,(H,2,3)
InChIKeyGQZBBCGTYHWETQ-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.26
Rot. Bonds

About formic acid;1H-indazole

formic acid;1H-indazole (PubChem CID 69150703) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is formic acid;1H-indazole.

Molecular Properties

Compound Nameformic acid;1H-indazole
PubChem CID69150703
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Nameformic acid;1H-indazole
SMILESO=CO.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.CH2O2/c1-2-4-7-6(3-1)5-8-9-7;2-1-3/h1-5H,(H,8,9);1H,(H,2,3)
InChIKeyGQZBBCGTYHWETQ-UHFFFAOYSA-N
XLogP1.26
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;1H-indazole?
The IUPAC name of formic acid;1H-indazole (CID 69150703) is formic acid;1H-indazole.
What is the SMILES notation for formic acid;1H-indazole?
The canonical SMILES for formic acid;1H-indazole is O=CO.c1ccc2[nH]ncc2c1.
What is the InChIKey of formic acid;1H-indazole?
The InChIKey is GQZBBCGTYHWETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.CH2O2/c1-2-4-7-6(3-1)5-8-9-7;2-1-3/h1-5H,(H,8,9);1H,(H,2,3).
What are the key properties of formic acid;1H-indazole?
formic acid;1H-indazole has a molecular weight of 164.16 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1H-indazole is sourced from PubChem (CID 69150703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).