3-methoxycarbonyl-1H-indazole-5-carboxylic acid

C10H8N2O4 — CID 66524882

IUPAC3-methoxycarbonyl-1H-indazole-5-carboxylic acid
SMILESCOC(=O)c1n[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C10H8N2O4/c1-16-10(15)8-6-4-5(9(13)14)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyBKLKHTNGGKZCAA-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.05
Rot. Bonds2

About 3-methoxycarbonyl-1H-indazole-5-carboxylic acid

3-methoxycarbonyl-1H-indazole-5-carboxylic acid (PubChem CID 66524882) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 3-methoxycarbonyl-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonyl-1H-indazole-5-carboxylic acid
PubChem CID66524882
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name3-methoxycarbonyl-1H-indazole-5-carboxylic acid
SMILESCOC(=O)c1n[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C10H8N2O4/c1-16-10(15)8-6-4-5(9(13)14)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyBKLKHTNGGKZCAA-UHFFFAOYSA-N
XLogP1.05
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyl-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-methoxycarbonyl-1H-indazole-5-carboxylic acid (CID 66524882) is 3-methoxycarbonyl-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonyl-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-methoxycarbonyl-1H-indazole-5-carboxylic acid is COC(=O)c1n[nH]c2ccc(C(=O)O)cc12.
What is the InChIKey of 3-methoxycarbonyl-1H-indazole-5-carboxylic acid?
The InChIKey is BKLKHTNGGKZCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-16-10(15)8-6-4-5(9(13)14)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-methoxycarbonyl-1H-indazole-5-carboxylic acid?
3-methoxycarbonyl-1H-indazole-5-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyl-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 66524882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).