2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid

C9H5ClN2O3 — CID 117322500

IUPAC2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cccc2n[nH]c(Cl)c12
InChIInChI=1S/C9H5ClN2O3/c10-8-6-4(7(13)9(14)15)2-1-3-5(6)11-12-8/h1-3H,(H,11,12)(H,14,15)
InChIKeyLXUKVGCZPASMLB-UHFFFAOYSA-N
MW224.60 g/mol
LogP1.48
Rot. Bonds2

About 2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid

2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid (PubChem CID 117322500) has the molecular formula C9H5ClN2O3 and a molecular weight of 224.60 g/mol. Its IUPAC name is 2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid
PubChem CID117322500
Molecular FormulaC9H5ClN2O3
Molecular Weight224.60 g/mol
Exact Mass224.00
IUPAC Name2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cccc2n[nH]c(Cl)c12
InChIInChI=1S/C9H5ClN2O3/c10-8-6-4(7(13)9(14)15)2-1-3-5(6)11-12-8/h1-3H,(H,11,12)(H,14,15)
InChIKeyLXUKVGCZPASMLB-UHFFFAOYSA-N
XLogP1.48
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.60
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-2H-indazol-4-yl)-2-oxoacetaldehyde
CID 141071344
3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 117411337
2-(2-oxalophenyl)-2-oxoacetic acid
CID 22610354
2-(2-chloro-3-methylphenyl)-2-oxoacetic acid
CID 90395230
O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine
CID 117302285
4-(3-chloro-2H-indazol-4-yl)butan-1-amine
CID 117321071
2-oxalophenolate
CID 54690432
methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate
CID 154728236
2-(2-methyl-1,3-benzoxazol-7-yl)-2-oxoacetic acid
CID 117293084
1H-indazole-3,4-dicarboxylic acid
CID 24728738
2-(3-ethyl-2H-indazol-4-yl)acetic acid
CID 84672219
2-(3-hydroxy-2-methylphenyl)-2-oxoacetic acid
CID 117278222

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid?
The IUPAC name of 2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid (CID 117322500) is 2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid is O=C(O)C(=O)c1cccc2n[nH]c(Cl)c12.
What is the InChIKey of 2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid?
The InChIKey is LXUKVGCZPASMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3/c10-8-6-4(7(13)9(14)15)2-1-3-5(6)11-12-8/h1-3H,(H,11,12)(H,14,15).
What are the key properties of 2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid?
2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid has a molecular weight of 224.60 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid is sourced from PubChem (CID 117322500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).