methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate

C10H9BrClNO2 — CID 82489754

IUPACmethyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1CCc2cc(Br)cc(Cl)c21
InChIInChI=1S/C10H9BrClNO2/c1-15-10(14)13-3-2-6-4-7(11)5-8(12)9(6)13/h4-5H,2-3H2,1H3
InChIKeyFLNSUFOTGURHFH-UHFFFAOYSA-N
MW290.54 g/mol
LogP3.23
Rot. Bonds

About methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate

methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate (PubChem CID 82489754) has the molecular formula C10H9BrClNO2 and a molecular weight of 290.54 g/mol. Its IUPAC name is methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate
PubChem CID82489754
Molecular FormulaC10H9BrClNO2
Molecular Weight290.54 g/mol
Exact Mass288.95
IUPAC Namemethyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1CCc2cc(Br)cc(Cl)c21
InChIInChI=1S/C10H9BrClNO2/c1-15-10(14)13-3-2-6-4-7(11)5-8(12)9(6)13/h4-5H,2-3H2,1H3
InChIKeyFLNSUFOTGURHFH-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate?
The IUPAC name of methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate (CID 82489754) is methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate is COC(=O)N1CCc2cc(Br)cc(Cl)c21.
What is the InChIKey of methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate?
The InChIKey is FLNSUFOTGURHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO2/c1-15-10(14)13-3-2-6-4-7(11)5-8(12)9(6)13/h4-5H,2-3H2,1H3.
What are the key properties of methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate?
methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate has a molecular weight of 290.54 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-7-chloro-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 82489754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).