3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid

C15H12N2O3 — CID 22260882

IUPAC3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid
SMILESCOc1ccccc1-c1n[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C15H12N2O3/c1-20-13-5-3-2-4-10(13)14-11-8-9(15(18)19)6-7-12(11)16-17-14/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyAXIFORIWUMOUNV-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.94
Rot. Bonds3

About 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid

3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid (PubChem CID 22260882) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid
PubChem CID22260882
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid
SMILESCOc1ccccc1-c1n[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C15H12N2O3/c1-20-13-5-3-2-4-10(13)14-11-8-9(15(18)19)6-7-12(11)16-17-14/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyAXIFORIWUMOUNV-UHFFFAOYSA-N
XLogP2.94
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid (CID 22260882) is 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid is COc1ccccc1-c1n[nH]c2ccc(C(=O)O)cc12.
What is the InChIKey of 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid?
The InChIKey is AXIFORIWUMOUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-13-5-3-2-4-10(13)14-11-8-9(15(18)19)6-7-12(11)16-17-14/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid?
3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 22260882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).