2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid

C11H10N2O3 — CID 117310594

IUPAC2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid
SMILESCc1nn(C)c2cccc(C(=O)C(=O)O)c12
InChIInChI=1S/C11H10N2O3/c1-6-9-7(10(14)11(15)16)4-3-5-8(9)13(2)12-6/h3-5H,1-2H3,(H,15,16)
InChIKeyNQOOKYJJCUOBPD-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.15
Rot. Bonds2

About 2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid

2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid (PubChem CID 117310594) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid
PubChem CID117310594
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid
SMILESCc1nn(C)c2cccc(C(=O)C(=O)O)c12
InChIInChI=1S/C11H10N2O3/c1-6-9-7(10(14)11(15)16)4-3-5-8(9)13(2)12-6/h3-5H,1-2H3,(H,15,16)
InChIKeyNQOOKYJJCUOBPD-UHFFFAOYSA-N
XLogP1.15
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid
CID 117433819
ethyl 2-(3-chloro-1-methylindazol-4-yl)-2-oxoacetate
CID 117420619
1,3-dimethyl-4-propan-2-ylindazole;ethane
CID 144655945
3-(1,3-dimethylindazol-4-yl)butanal
CID 117308183
1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 83907341
2-(3-hydroxy-2-methylphenyl)-2-oxoacetic acid
CID 117278222
3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one
CID 172757021
2-(2-oxalophenyl)-2-oxoacetic acid
CID 22610354
2-(2-chloro-3-methylphenyl)-2-oxoacetic acid
CID 90395230
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
3-iodo-1-methyl-4-nitrosoindazole
CID 89093597
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid?
The IUPAC name of 2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid (CID 117310594) is 2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid is Cc1nn(C)c2cccc(C(=O)C(=O)O)c12.
What is the InChIKey of 2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid?
The InChIKey is NQOOKYJJCUOBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-9-7(10(14)11(15)16)4-3-5-8(9)13(2)12-6/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid?
2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid has a molecular weight of 218.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylindazol-4-yl)-2-oxoacetic acid is sourced from PubChem (CID 117310594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).