dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate

C13H13NO5 — CID 10706656

IUPACdimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate
SMILESCOC(=O)c1cc2c(C)c(C(=O)OC)cc(O)c2[nH]1
InChIInChI=1S/C13H13NO5/c1-6-7-4-9(13(17)19-3)14-11(7)10(15)5-8(6)12(16)18-2/h4-5,14-15H,1-3H3
InChIKeyKPTORNXWJNCYLF-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.76
Rot. Bonds2

About dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate

dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate (PubChem CID 10706656) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate
PubChem CID10706656
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Namedimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate
SMILESCOC(=O)c1cc2c(C)c(C(=O)OC)cc(O)c2[nH]1
InChIInChI=1S/C13H13NO5/c1-6-7-4-9(13(17)19-3)14-11(7)10(15)5-8(6)12(16)18-2/h4-5,14-15H,1-3H3
InChIKeyKPTORNXWJNCYLF-UHFFFAOYSA-N
XLogP1.76
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate
CID 10660138
methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
methyl 4-[2-(tert-butylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate
CID 13242201
methyl 7-hydroxy-1H-indole-2-carboxylate
CID 13089718
methyl 5,6-dihydroxy-1H-indole-2-carboxylate
CID 22162548
5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid
CID 154279183
methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate
CID 54101647
methyl 5-amino-3-hydroxy-2-methylbenzoate
CID 131366361
methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
CID 131390068
methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
CID 7141912
methyl 4-bromo-6,7-dimethoxy-1H-indole-2-carboxylate
CID 7144594
methyl 4-amino-1H-indole-2-carboxylate
CID 19955413

Frequently Asked Questions

What is the IUPAC name of dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate?
The IUPAC name of dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate (CID 10706656) is dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate?
The canonical SMILES for dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate is COC(=O)c1cc2c(C)c(C(=O)OC)cc(O)c2[nH]1.
What is the InChIKey of dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate?
The InChIKey is KPTORNXWJNCYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-6-7-4-9(13(17)19-3)14-11(7)10(15)5-8(6)12(16)18-2/h4-5,14-15H,1-3H3.
What are the key properties of dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate?
dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate has a molecular weight of 263.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate is sourced from PubChem (CID 10706656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).