6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline

C13H10BrNO — CID 71039452

IUPAC6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline
SMILESBrC1=CCC(c2ccc3cnccc3c2)O1
InChIInChI=1S/C13H10BrNO/c14-13-4-3-12(16-13)10-1-2-11-8-15-6-5-9(11)7-10/h1-2,4-8,12H,3H2
InChIKeyQKHQYMWIDIXAMT-UHFFFAOYSA-N
MW276.13 g/mol
LogP3.93
Rot. Bonds1

About 6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline

6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline (PubChem CID 71039452) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is 6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline.

Molecular Properties

Compound Name6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline
PubChem CID71039452
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC Name6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline
SMILESBrC1=CCC(c2ccc3cnccc3c2)O1
InChIInChI=1S/C13H10BrNO/c14-13-4-3-12(16-13)10-1-2-11-8-15-6-5-9(11)7-10/h1-2,4-8,12H,3H2
InChIKeyQKHQYMWIDIXAMT-UHFFFAOYSA-N
XLogP3.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline?
The IUPAC name of 6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline (CID 71039452) is 6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline.
What is the SMILES notation for 6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline?
The canonical SMILES for 6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline is BrC1=CCC(c2ccc3cnccc3c2)O1.
What is the InChIKey of 6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline?
The InChIKey is QKHQYMWIDIXAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO/c14-13-4-3-12(16-13)10-1-2-11-8-15-6-5-9(11)7-10/h1-2,4-8,12H,3H2.
What are the key properties of 6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline?
6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline has a molecular weight of 276.13 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2,3-dihydrofuran-2-yl)isoquinoline is sourced from PubChem (CID 71039452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).