3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid

C11H10N2O3 — CID 68609409

IUPAC3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid
SMILESCc1cc(CC(=O)C(=O)O)cc2cn[nH]c12
InChIInChI=1S/C11H10N2O3/c1-6-2-7(4-9(14)11(15)16)3-8-5-12-13-10(6)8/h2-3,5H,4H2,1H3,(H,12,13)(H,15,16)
InChIKeyCLEHSUWFRZOESL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.07
Rot. Bonds3

About 3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid

3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid (PubChem CID 68609409) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid.

Molecular Properties

Compound Name3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid
PubChem CID68609409
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid
SMILESCc1cc(CC(=O)C(=O)O)cc2cn[nH]c12
InChIInChI=1S/C11H10N2O3/c1-6-2-7(4-9(14)11(15)16)3-8-5-12-13-10(6)8/h2-3,5H,4H2,1H3,(H,12,13)(H,15,16)
InChIKeyCLEHSUWFRZOESL-UHFFFAOYSA-N
XLogP1.07
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid?
The IUPAC name of 3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid (CID 68609409) is 3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid.
What is the SMILES notation for 3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid?
The canonical SMILES for 3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid is Cc1cc(CC(=O)C(=O)O)cc2cn[nH]c12.
What is the InChIKey of 3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid?
The InChIKey is CLEHSUWFRZOESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-2-7(4-9(14)11(15)16)3-8-5-12-13-10(6)8/h2-3,5H,4H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid?
3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid has a molecular weight of 218.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-1H-indazol-5-yl)-2-oxopropanoic acid is sourced from PubChem (CID 68609409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).