ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate

C11H12N2O4 — CID 156851175

IUPACethyl 5-hydroxy-3-methoxyindazole-1-carboxylate
SMILESCCOC(=O)n1nc(OC)c2cc(O)ccc21
InChIInChI=1S/C11H12N2O4/c1-3-17-11(15)13-9-5-4-7(14)6-8(9)10(12-13)16-2/h4-6,14H,3H2,1-2H3
InChIKeyGZTNROYXFXDYOC-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.76
Rot. Bonds2

About ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate

ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate (PubChem CID 156851175) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-3-methoxyindazole-1-carboxylate
PubChem CID156851175
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Nameethyl 5-hydroxy-3-methoxyindazole-1-carboxylate
SMILESCCOC(=O)n1nc(OC)c2cc(O)ccc21
InChIInChI=1S/C11H12N2O4/c1-3-17-11(15)13-9-5-4-7(14)6-8(9)10(12-13)16-2/h4-6,14H,3H2,1-2H3
InChIKeyGZTNROYXFXDYOC-UHFFFAOYSA-N
XLogP1.76
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-methoxy-6-methylindazole-1-carboxylate
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ethyl 3-amino-5,6-dimethoxyindazole-2-carboxylate
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2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid
CID 67021214
ethyl 5-aminoindazole-1-carboxylate
CID 119086804
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate
CID 171865971
ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate
CID 176977821

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate?
The IUPAC name of ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate (CID 156851175) is ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate is CCOC(=O)n1nc(OC)c2cc(O)ccc21.
What is the InChIKey of ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate?
The InChIKey is GZTNROYXFXDYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-3-17-11(15)13-9-5-4-7(14)6-8(9)10(12-13)16-2/h4-6,14H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate?
ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate has a molecular weight of 236.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate is sourced from PubChem (CID 156851175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).