3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid

C13H10N2O3 — CID 142079459

IUPAC3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid
SMILESCc1ccc2c(-c3ccco3)[nH]nc2c1C(=O)O
InChIInChI=1S/C13H10N2O3/c1-7-4-5-8-11(9-3-2-6-18-9)14-15-12(8)10(7)13(16)17/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyVWXKMWZBPBNIII-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.83
Rot. Bonds2

About 3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid

3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid (PubChem CID 142079459) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid
PubChem CID142079459
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid
SMILESCc1ccc2c(-c3ccco3)[nH]nc2c1C(=O)O
InChIInChI=1S/C13H10N2O3/c1-7-4-5-8-11(9-3-2-6-18-9)14-15-12(8)10(7)13(16)17/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyVWXKMWZBPBNIII-UHFFFAOYSA-N
XLogP2.83
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82370881
6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 62631831
4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid
CID 175375654
6-amino-3-methyl-2H-indazole-7-carboxylic acid
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2-(furan-2-yl)-7-methyl-4-oxochromene-3-carboxylic acid
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6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid
CID 62631969
2-[3-(furan-2-yl)-5-oxo-1H-1,2,4-triazol-4-yl]propanoic acid
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3-(furan-2-yl)-5-methyl-N-(2-methylphenyl)-1H-pyrazole-4-carboxamide
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1-(3,4-dimethylphenyl)-5-(furan-2-yl)pyrazole-4-carboxylic acid
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2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide
CID 42687666

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid?
The IUPAC name of 3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid (CID 142079459) is 3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid.
What is the SMILES notation for 3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid?
The canonical SMILES for 3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid is Cc1ccc2c(-c3ccco3)[nH]nc2c1C(=O)O.
What is the InChIKey of 3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid?
The InChIKey is VWXKMWZBPBNIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-7-4-5-8-11(9-3-2-6-18-9)14-15-12(8)10(7)13(16)17/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid?
3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid is sourced from PubChem (CID 142079459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).