methyl 6-hydroxy-1H-indole-2-carboxylate

C10H9NO3 — CID 10535709

IUPACmethyl 6-hydroxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(O)cc2[nH]1
InChIInChI=1S/C10H9NO3/c1-14-10(13)9-4-6-2-3-7(12)5-8(6)11-9/h2-5,11-12H,1H3
InChIKeyPFHGZEXEKZRMIP-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.66
Rot. Bonds1

About methyl 6-hydroxy-1H-indole-2-carboxylate

methyl 6-hydroxy-1H-indole-2-carboxylate (PubChem CID 10535709) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 6-hydroxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-1H-indole-2-carboxylate
PubChem CID10535709
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl 6-hydroxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(O)cc2[nH]1
InChIInChI=1S/C10H9NO3/c1-14-10(13)9-4-6-2-3-7(12)5-8(6)11-9/h2-5,11-12H,1H3
InChIKeyPFHGZEXEKZRMIP-UHFFFAOYSA-N
XLogP1.66
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-hydroxy-1H-indole-2-carboxylate (CID 10535709) is methyl 6-hydroxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-hydroxy-1H-indole-2-carboxylate is COC(=O)c1cc2ccc(O)cc2[nH]1.
What is the InChIKey of methyl 6-hydroxy-1H-indole-2-carboxylate?
The InChIKey is PFHGZEXEKZRMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-10(13)9-4-6-2-3-7(12)5-8(6)11-9/h2-5,11-12H,1H3.
What are the key properties of methyl 6-hydroxy-1H-indole-2-carboxylate?
methyl 6-hydroxy-1H-indole-2-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-1H-indole-2-carboxylate is sourced from PubChem (CID 10535709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).