7-methoxy-1-methylindazole-6-carboxylic acid

C10H10N2O3 — CID 117109695

IUPAC7-methoxy-1-methylindazole-6-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2cnn(C)c12
InChIInChI=1S/C10H10N2O3/c1-12-8-6(5-11-12)3-4-7(10(13)14)9(8)15-2/h3-5H,1-2H3,(H,13,14)
InChIKeyYPYNVRQRCAJAKS-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.28
Rot. Bonds2

About 7-methoxy-1-methylindazole-6-carboxylic acid

7-methoxy-1-methylindazole-6-carboxylic acid (PubChem CID 117109695) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-methoxy-1-methylindazole-6-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1-methylindazole-6-carboxylic acid
PubChem CID117109695
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name7-methoxy-1-methylindazole-6-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2cnn(C)c12
InChIInChI=1S/C10H10N2O3/c1-12-8-6(5-11-12)3-4-7(10(13)14)9(8)15-2/h3-5H,1-2H3,(H,13,14)
InChIKeyYPYNVRQRCAJAKS-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 7-methoxy-1-methylindazole-6-carboxylic acid?
The IUPAC name of 7-methoxy-1-methylindazole-6-carboxylic acid (CID 117109695) is 7-methoxy-1-methylindazole-6-carboxylic acid.
What is the SMILES notation for 7-methoxy-1-methylindazole-6-carboxylic acid?
The canonical SMILES for 7-methoxy-1-methylindazole-6-carboxylic acid is COc1c(C(=O)O)ccc2cnn(C)c12.
What is the InChIKey of 7-methoxy-1-methylindazole-6-carboxylic acid?
The InChIKey is YPYNVRQRCAJAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-12-8-6(5-11-12)3-4-7(10(13)14)9(8)15-2/h3-5H,1-2H3,(H,13,14).
What are the key properties of 7-methoxy-1-methylindazole-6-carboxylic acid?
7-methoxy-1-methylindazole-6-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 7-methoxy-1-methylindazole-6-carboxylic acid is sourced from PubChem (CID 117109695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).