5-hydroxy-2-methylindazole-3-carboxylic acid

C9H8N2O3 — CID 69302554

IUPAC5-hydroxy-2-methylindazole-3-carboxylic acid
SMILESCn1nc2ccc(O)cc2c1C(=O)O
InChIInChI=1S/C9H8N2O3/c1-11-8(9(13)14)6-4-5(12)2-3-7(6)10-11/h2-4,12H,1H3,(H,13,14)
InChIKeyZZCANFUQJPMDIR-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.98
Rot. Bonds1

About 5-hydroxy-2-methylindazole-3-carboxylic acid

5-hydroxy-2-methylindazole-3-carboxylic acid (PubChem CID 69302554) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-hydroxy-2-methylindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-methylindazole-3-carboxylic acid
PubChem CID69302554
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-hydroxy-2-methylindazole-3-carboxylic acid
SMILESCn1nc2ccc(O)cc2c1C(=O)O
InChIInChI=1S/C9H8N2O3/c1-11-8(9(13)14)6-4-5(12)2-3-7(6)10-11/h2-4,12H,1H3,(H,13,14)
InChIKeyZZCANFUQJPMDIR-UHFFFAOYSA-N
XLogP0.98
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylindazole-3-carboxylic acid?
The IUPAC name of 5-hydroxy-2-methylindazole-3-carboxylic acid (CID 69302554) is 5-hydroxy-2-methylindazole-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-methylindazole-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-methylindazole-3-carboxylic acid is Cn1nc2ccc(O)cc2c1C(=O)O.
What is the InChIKey of 5-hydroxy-2-methylindazole-3-carboxylic acid?
The InChIKey is ZZCANFUQJPMDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-11-8(9(13)14)6-4-5(12)2-3-7(6)10-11/h2-4,12H,1H3,(H,13,14).
What are the key properties of 5-hydroxy-2-methylindazole-3-carboxylic acid?
5-hydroxy-2-methylindazole-3-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylindazole-3-carboxylic acid is sourced from PubChem (CID 69302554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).