1-ethylindazole-6-carboxylic acid

C10H10N2O2 — CID 21183716

IUPAC1-ethylindazole-6-carboxylic acid
SMILESCCn1ncc2ccc(C(=O)O)cc21
InChIInChI=1S/C10H10N2O2/c1-2-12-9-5-7(10(13)14)3-4-8(9)6-11-12/h3-6H,2H2,1H3,(H,13,14)
InChIKeyOFVGRGYMHGBPDQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.75
Rot. Bonds2

About 1-ethylindazole-6-carboxylic acid

1-ethylindazole-6-carboxylic acid (PubChem CID 21183716) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-ethylindazole-6-carboxylic acid.

Molecular Properties

Compound Name1-ethylindazole-6-carboxylic acid
PubChem CID21183716
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-ethylindazole-6-carboxylic acid
SMILESCCn1ncc2ccc(C(=O)O)cc21
InChIInChI=1S/C10H10N2O2/c1-2-12-9-5-7(10(13)14)3-4-8(9)6-11-12/h3-6H,2H2,1H3,(H,13,14)
InChIKeyOFVGRGYMHGBPDQ-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylindazole-6-carboxylic acid?
The IUPAC name of 1-ethylindazole-6-carboxylic acid (CID 21183716) is 1-ethylindazole-6-carboxylic acid.
What is the SMILES notation for 1-ethylindazole-6-carboxylic acid?
The canonical SMILES for 1-ethylindazole-6-carboxylic acid is CCn1ncc2ccc(C(=O)O)cc21.
What is the InChIKey of 1-ethylindazole-6-carboxylic acid?
The InChIKey is OFVGRGYMHGBPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-12-9-5-7(10(13)14)3-4-8(9)6-11-12/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of 1-ethylindazole-6-carboxylic acid?
1-ethylindazole-6-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylindazole-6-carboxylic acid is sourced from PubChem (CID 21183716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).