5-bromo-6-ethoxy-1H-isoindole

C10H10BrNO — CID 167569985

IUPAC5-bromo-6-ethoxy-1H-isoindole
SMILESCCOc1cc2c(cc1Br)C=NC2
InChIInChI=1S/C10H10BrNO/c1-2-13-10-4-8-6-12-5-7(8)3-9(10)11/h3-5H,2,6H2,1H3
InChIKeyLDRXJTDQFLZIJD-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.78
Rot. Bonds2

About 5-bromo-6-ethoxy-1H-isoindole

5-bromo-6-ethoxy-1H-isoindole (PubChem CID 167569985) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 5-bromo-6-ethoxy-1H-isoindole.

Molecular Properties

Compound Name5-bromo-6-ethoxy-1H-isoindole
PubChem CID167569985
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name5-bromo-6-ethoxy-1H-isoindole
SMILESCCOc1cc2c(cc1Br)C=NC2
InChIInChI=1S/C10H10BrNO/c1-2-13-10-4-8-6-12-5-7(8)3-9(10)11/h3-5H,2,6H2,1H3
InChIKeyLDRXJTDQFLZIJD-UHFFFAOYSA-N
XLogP2.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,12,13,19,20-hexaethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 4918984
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4,9,14,19,24,29,31,33,35,37,39,41-dodecaethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18,20,23,25,28,31,33,35-octadecaene;molecular iodine
CID 139125685
5-bromo-4-ethoxypyridin-2-amine;hydrobromide
CID 134328436
1-bromo-2-ethoxy-4-methylbenzene
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CID 66560026
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CID 17245123
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
4-bromo-3-ethoxyaniline
CID 7015503
1-bromo-4,5-diethoxy-2-iodobenzene
CID 81479058

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethoxy-1H-isoindole?
The IUPAC name of 5-bromo-6-ethoxy-1H-isoindole (CID 167569985) is 5-bromo-6-ethoxy-1H-isoindole.
What is the SMILES notation for 5-bromo-6-ethoxy-1H-isoindole?
The canonical SMILES for 5-bromo-6-ethoxy-1H-isoindole is CCOc1cc2c(cc1Br)C=NC2.
What is the InChIKey of 5-bromo-6-ethoxy-1H-isoindole?
The InChIKey is LDRXJTDQFLZIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-2-13-10-4-8-6-12-5-7(8)3-9(10)11/h3-5H,2,6H2,1H3.
What are the key properties of 5-bromo-6-ethoxy-1H-isoindole?
5-bromo-6-ethoxy-1H-isoindole has a molecular weight of 240.10 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethoxy-1H-isoindole is sourced from PubChem (CID 167569985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).