methyl 7-hydroxy-1H-indole-2-carboxylate

C10H9NO3 — CID 13089718

IUPACmethyl 7-hydroxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cccc(O)c2[nH]1
InChIInChI=1S/C10H9NO3/c1-14-10(13)7-5-6-3-2-4-8(12)9(6)11-7/h2-5,11-12H,1H3
InChIKeyVQTQDVYIDANALW-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.66
Rot. Bonds1

About methyl 7-hydroxy-1H-indole-2-carboxylate

methyl 7-hydroxy-1H-indole-2-carboxylate (PubChem CID 13089718) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 7-hydroxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-1H-indole-2-carboxylate
PubChem CID13089718
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl 7-hydroxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cccc(O)c2[nH]1
InChIInChI=1S/C10H9NO3/c1-14-10(13)7-5-6-3-2-4-8(12)9(6)11-7/h2-5,11-12H,1H3
InChIKeyVQTQDVYIDANALW-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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Related Compounds

methyl 7-amino-1H-indole-2-carboxylate
CID 18550972
methyl 7-acetyl-1H-indole-2-carboxylate
CID 130131539
2-amino-1-(7-hydroxy-1H-indol-2-yl)ethanone
CID 82404177
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
methyl 5,6-dihydroxy-1H-indole-2-carboxylate
CID 22162548
methyl 1H-pyrrolo[2,3-f]quinoline-2-carboxylate
CID 15629233
N-[2-(diethylamino)ethyl]-7-hydroxy-1H-indole-2-carboxamide
CID 14444322
4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one
CID 96610121
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 19042831
fluoro 7-(1-hydroxyethyl)-1H-indole-2-carboxylate
CID 166140340
dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate
CID 10706656
acetyl chloride;ethyl 7-acetyl-1H-indole-2-carboxylate
CID 161410841

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 7-hydroxy-1H-indole-2-carboxylate (CID 13089718) is methyl 7-hydroxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 7-hydroxy-1H-indole-2-carboxylate is COC(=O)c1cc2cccc(O)c2[nH]1.
What is the InChIKey of methyl 7-hydroxy-1H-indole-2-carboxylate?
The InChIKey is VQTQDVYIDANALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-10(13)7-5-6-3-2-4-8(12)9(6)11-7/h2-5,11-12H,1H3.
What are the key properties of methyl 7-hydroxy-1H-indole-2-carboxylate?
methyl 7-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 7-hydroxy-1H-indole-2-carboxylate is sourced from PubChem (CID 13089718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).