2-ethyl-6-methoxyindazole-3-carboxylic acid

C11H12N2O3 — CID 84724604

IUPAC2-ethyl-6-methoxyindazole-3-carboxylic acid
SMILESCCn1nc2cc(OC)ccc2c1C(=O)O
InChIInChI=1S/C11H12N2O3/c1-3-13-10(11(14)15)8-5-4-7(16-2)6-9(8)12-13/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyVIEDOAFFXFWXRP-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.76
Rot. Bonds3

About 2-ethyl-6-methoxyindazole-3-carboxylic acid

2-ethyl-6-methoxyindazole-3-carboxylic acid (PubChem CID 84724604) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-ethyl-6-methoxyindazole-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-methoxyindazole-3-carboxylic acid
PubChem CID84724604
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-ethyl-6-methoxyindazole-3-carboxylic acid
SMILESCCn1nc2cc(OC)ccc2c1C(=O)O
InChIInChI=1S/C11H12N2O3/c1-3-13-10(11(14)15)8-5-4-7(16-2)6-9(8)12-13/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyVIEDOAFFXFWXRP-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid
CID 170357752
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138
2-ethyl-7-methoxy-1-(2-phenylethyl)pyrazolo[3,4-c]quinoline
CID 141116299
3-bromo-6-methoxy-2-methylindazole
CID 84728133
4-amino-7-methoxyquinoline-3-carboxylic acid
CID 50877276
2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989
2-(2-methoxyethyl)indazole-3-carboxylic acid
CID 68710957
4-chloro-2-ethyl-7-methoxyquinoline-3-carboxylic acid
CID 53401269
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
5-methoxy-1-methylindazole-3-carboxylic acid
CID 45141403
3-(7-methoxyquinazolin-4-yl)sulfanylpropanoic acid
CID 21003198
ethyl 3-(5-methoxyindazol-2-yl)propanoate
CID 166786930

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxyindazole-3-carboxylic acid?
The IUPAC name of 2-ethyl-6-methoxyindazole-3-carboxylic acid (CID 84724604) is 2-ethyl-6-methoxyindazole-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-methoxyindazole-3-carboxylic acid?
The canonical SMILES for 2-ethyl-6-methoxyindazole-3-carboxylic acid is CCn1nc2cc(OC)ccc2c1C(=O)O.
What is the InChIKey of 2-ethyl-6-methoxyindazole-3-carboxylic acid?
The InChIKey is VIEDOAFFXFWXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-13-10(11(14)15)8-5-4-7(16-2)6-9(8)12-13/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-6-methoxyindazole-3-carboxylic acid?
2-ethyl-6-methoxyindazole-3-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxyindazole-3-carboxylic acid is sourced from PubChem (CID 84724604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).