3-chloroindazole-1-carboxylic acid

C8H5ClN2O2 — CID 68876462

IUPAC3-chloroindazole-1-carboxylic acid
SMILESO=C(O)n1nc(Cl)c2ccccc21
InChIInChI=1S/C8H5ClN2O2/c9-7-5-3-1-2-4-6(5)11(10-7)8(12)13/h1-4H,(H,12,13)
InChIKeyXKLDKACXGOHXBH-UHFFFAOYSA-N
MW196.59 g/mol
LogP2.22
Rot. Bonds

About 3-chloroindazole-1-carboxylic acid

3-chloroindazole-1-carboxylic acid (PubChem CID 68876462) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is 3-chloroindazole-1-carboxylic acid.

Molecular Properties

Compound Name3-chloroindazole-1-carboxylic acid
PubChem CID68876462
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Name3-chloroindazole-1-carboxylic acid
SMILESO=C(O)n1nc(Cl)c2ccccc21
InChIInChI=1S/C8H5ClN2O2/c9-7-5-3-1-2-4-6(5)11(10-7)8(12)13/h1-4H,(H,12,13)
InChIKeyXKLDKACXGOHXBH-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloroindazole-1-carboxylic acid?
The IUPAC name of 3-chloroindazole-1-carboxylic acid (CID 68876462) is 3-chloroindazole-1-carboxylic acid.
What is the SMILES notation for 3-chloroindazole-1-carboxylic acid?
The canonical SMILES for 3-chloroindazole-1-carboxylic acid is O=C(O)n1nc(Cl)c2ccccc21.
What is the InChIKey of 3-chloroindazole-1-carboxylic acid?
The InChIKey is XKLDKACXGOHXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2/c9-7-5-3-1-2-4-6(5)11(10-7)8(12)13/h1-4H,(H,12,13).
What are the key properties of 3-chloroindazole-1-carboxylic acid?
3-chloroindazole-1-carboxylic acid has a molecular weight of 196.59 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroindazole-1-carboxylic acid is sourced from PubChem (CID 68876462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).