5-methoxy-1-methylindazole-3-carboxylic acid

C10H10N2O3 — CID 45141403

IUPAC5-methoxy-1-methylindazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(C(=O)O)nn2C
InChIInChI=1S/C10H10N2O3/c1-12-8-4-3-6(15-2)5-7(8)9(11-12)10(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeyOVFDRYJAWUOGKM-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.28
Rot. Bonds2

About 5-methoxy-1-methylindazole-3-carboxylic acid

5-methoxy-1-methylindazole-3-carboxylic acid (PubChem CID 45141403) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-methoxy-1-methylindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-methylindazole-3-carboxylic acid
PubChem CID45141403
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5-methoxy-1-methylindazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(C(=O)O)nn2C
InChIInChI=1S/C10H10N2O3/c1-12-8-4-3-6(15-2)5-7(8)9(11-12)10(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeyOVFDRYJAWUOGKM-UHFFFAOYSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methylindazole-3-carboxylic acid?
The IUPAC name of 5-methoxy-1-methylindazole-3-carboxylic acid (CID 45141403) is 5-methoxy-1-methylindazole-3-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-methylindazole-3-carboxylic acid?
The canonical SMILES for 5-methoxy-1-methylindazole-3-carboxylic acid is COc1ccc2c(c1)c(C(=O)O)nn2C.
What is the InChIKey of 5-methoxy-1-methylindazole-3-carboxylic acid?
The InChIKey is OVFDRYJAWUOGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-12-8-4-3-6(15-2)5-7(8)9(11-12)10(13)14/h3-5H,1-2H3,(H,13,14).
What are the key properties of 5-methoxy-1-methylindazole-3-carboxylic acid?
5-methoxy-1-methylindazole-3-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methylindazole-3-carboxylic acid is sourced from PubChem (CID 45141403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).