7-methoxy-1H-indazole-5-carboxylic acid

C9H8N2O3 — CID 66920626

IUPAC7-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2cn[nH]c12
InChIInChI=1S/C9H8N2O3/c1-14-7-3-5(9(12)13)2-6-4-10-11-8(6)7/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyGFHCRDTVUZMAAM-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.27
Rot. Bonds2

About 7-methoxy-1H-indazole-5-carboxylic acid

7-methoxy-1H-indazole-5-carboxylic acid (PubChem CID 66920626) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 7-methoxy-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1H-indazole-5-carboxylic acid
PubChem CID66920626
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name7-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2cn[nH]c12
InChIInChI=1S/C9H8N2O3/c1-14-7-3-5(9(12)13)2-6-4-10-11-8(6)7/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyGFHCRDTVUZMAAM-UHFFFAOYSA-N
XLogP1.27
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1H-indazole-5-carboxylic acid?
The IUPAC name of 7-methoxy-1H-indazole-5-carboxylic acid (CID 66920626) is 7-methoxy-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 7-methoxy-1H-indazole-5-carboxylic acid?
The canonical SMILES for 7-methoxy-1H-indazole-5-carboxylic acid is COc1cc(C(=O)O)cc2cn[nH]c12.
What is the InChIKey of 7-methoxy-1H-indazole-5-carboxylic acid?
The InChIKey is GFHCRDTVUZMAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-7-3-5(9(12)13)2-6-4-10-11-8(6)7/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 7-methoxy-1H-indazole-5-carboxylic acid?
7-methoxy-1H-indazole-5-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 66920626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).