methyl 6-hydroxy-2H-indole-3-carboxylate

C10H9NO3 — CID 150678701

IUPACmethyl 6-hydroxy-2H-indole-3-carboxylate
SMILESCOC(=O)C1=c2ccc(O)cc2=NC1
InChIInChI=1S/C10H9NO3/c1-14-10(13)8-5-11-9-4-6(12)2-3-7(8)9/h2-4,12H,5H2,1H3
InChIKeyUFFDWQWLYFQOFX-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.65
Rot. Bonds1

About methyl 6-hydroxy-2H-indole-3-carboxylate

methyl 6-hydroxy-2H-indole-3-carboxylate (PubChem CID 150678701) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 6-hydroxy-2H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-2H-indole-3-carboxylate
PubChem CID150678701
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl 6-hydroxy-2H-indole-3-carboxylate
SMILESCOC(=O)C1=c2ccc(O)cc2=NC1
InChIInChI=1S/C10H9NO3/c1-14-10(13)8-5-11-9-4-6(12)2-3-7(8)9/h2-4,12H,5H2,1H3
InChIKeyUFFDWQWLYFQOFX-UHFFFAOYSA-N
XLogP-0.65
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-2H-indole-3-carboxylate?
The IUPAC name of methyl 6-hydroxy-2H-indole-3-carboxylate (CID 150678701) is methyl 6-hydroxy-2H-indole-3-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-2H-indole-3-carboxylate?
The canonical SMILES for methyl 6-hydroxy-2H-indole-3-carboxylate is COC(=O)C1=c2ccc(O)cc2=NC1.
What is the InChIKey of methyl 6-hydroxy-2H-indole-3-carboxylate?
The InChIKey is UFFDWQWLYFQOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-10(13)8-5-11-9-4-6(12)2-3-7(8)9/h2-4,12H,5H2,1H3.
What are the key properties of methyl 6-hydroxy-2H-indole-3-carboxylate?
methyl 6-hydroxy-2H-indole-3-carboxylate has a molecular weight of 191.19 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-2H-indole-3-carboxylate is sourced from PubChem (CID 150678701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).