2,3-dihydro-1H-indazole-5-carboxylic acid

C8H8N2O2 — CID 68838696

IUPAC2,3-dihydro-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CNN2
InChIInChI=1S/C8H8N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h1-3,9-10H,4H2,(H,11,12)
InChIKeyIVYCVGPGDVUOAC-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.81
Rot. Bonds1

About 2,3-dihydro-1H-indazole-5-carboxylic acid

2,3-dihydro-1H-indazole-5-carboxylic acid (PubChem CID 68838696) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2,3-dihydro-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-indazole-5-carboxylic acid
PubChem CID68838696
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2,3-dihydro-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CNN2
InChIInChI=1S/C8H8N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h1-3,9-10H,4H2,(H,11,12)
InChIKeyIVYCVGPGDVUOAC-UHFFFAOYSA-N
XLogP0.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indazole-5-carboxylic acid?
The IUPAC name of 2,3-dihydro-1H-indazole-5-carboxylic acid (CID 68838696) is 2,3-dihydro-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 2,3-dihydro-1H-indazole-5-carboxylic acid?
The canonical SMILES for 2,3-dihydro-1H-indazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CNN2.
What is the InChIKey of 2,3-dihydro-1H-indazole-5-carboxylic acid?
The InChIKey is IVYCVGPGDVUOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h1-3,9-10H,4H2,(H,11,12).
What are the key properties of 2,3-dihydro-1H-indazole-5-carboxylic acid?
2,3-dihydro-1H-indazole-5-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 68838696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).