ethane;indazole-2-carboxylic acid

C10H12N2O2 — CID 91117205

IUPACethane;indazole-2-carboxylic acid
SMILESCC.O=C(O)n1cc2ccccc2n1
InChIInChI=1S/C8H6N2O2.C2H6/c11-8(12)10-5-6-3-1-2-4-7(6)9-10;1-2/h1-5H,(H,11,12);1-2H3
InChIKeySGIJCFMJLRXRHB-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.59
Rot. Bonds

About ethane;indazole-2-carboxylic acid

ethane;indazole-2-carboxylic acid (PubChem CID 91117205) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is ethane;indazole-2-carboxylic acid.

Molecular Properties

Compound Nameethane;indazole-2-carboxylic acid
PubChem CID91117205
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Nameethane;indazole-2-carboxylic acid
SMILESCC.O=C(O)n1cc2ccccc2n1
InChIInChI=1S/C8H6N2O2.C2H6/c11-8(12)10-5-6-3-1-2-4-7(6)9-10;1-2/h1-5H,(H,11,12);1-2H3
InChIKeySGIJCFMJLRXRHB-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;indazole-2-carboxylic acid?
The IUPAC name of ethane;indazole-2-carboxylic acid (CID 91117205) is ethane;indazole-2-carboxylic acid.
What is the SMILES notation for ethane;indazole-2-carboxylic acid?
The canonical SMILES for ethane;indazole-2-carboxylic acid is CC.O=C(O)n1cc2ccccc2n1.
What is the InChIKey of ethane;indazole-2-carboxylic acid?
The InChIKey is SGIJCFMJLRXRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.C2H6/c11-8(12)10-5-6-3-1-2-4-7(6)9-10;1-2/h1-5H,(H,11,12);1-2H3.
What are the key properties of ethane;indazole-2-carboxylic acid?
ethane;indazole-2-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;indazole-2-carboxylic acid is sourced from PubChem (CID 91117205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).