methyl 5-bromo-1H-indole-7-carboxylate

C10H8BrNO2 — CID 24728848

IUPACmethyl 5-bromo-1H-indole-7-carboxylate
SMILESCOC(=O)c1cc(Br)cc2cc[nH]c12
InChIInChI=1S/C10H8BrNO2/c1-14-10(13)8-5-7(11)4-6-2-3-12-9(6)8/h2-5,12H,1H3
InChIKeyYSFZPMNRVJTVIV-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.72
Rot. Bonds1

About methyl 5-bromo-1H-indole-7-carboxylate

methyl 5-bromo-1H-indole-7-carboxylate (PubChem CID 24728848) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is methyl 5-bromo-1H-indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1H-indole-7-carboxylate
PubChem CID24728848
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Namemethyl 5-bromo-1H-indole-7-carboxylate
SMILESCOC(=O)c1cc(Br)cc2cc[nH]c12
InChIInChI=1S/C10H8BrNO2/c1-14-10(13)8-5-7(11)4-6-2-3-12-9(6)8/h2-5,12H,1H3
InChIKeyYSFZPMNRVJTVIV-UHFFFAOYSA-N
XLogP2.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1H-indole-7-carboxylate?
The IUPAC name of methyl 5-bromo-1H-indole-7-carboxylate (CID 24728848) is methyl 5-bromo-1H-indole-7-carboxylate.
What is the SMILES notation for methyl 5-bromo-1H-indole-7-carboxylate?
The canonical SMILES for methyl 5-bromo-1H-indole-7-carboxylate is COC(=O)c1cc(Br)cc2cc[nH]c12.
What is the InChIKey of methyl 5-bromo-1H-indole-7-carboxylate?
The InChIKey is YSFZPMNRVJTVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-7(11)4-6-2-3-12-9(6)8/h2-5,12H,1H3.
What are the key properties of methyl 5-bromo-1H-indole-7-carboxylate?
methyl 5-bromo-1H-indole-7-carboxylate has a molecular weight of 254.08 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-1H-indole-7-carboxylate is sourced from PubChem (CID 24728848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).