6-bromo-4-cyclopropylisoquinoline

C12H10BrN — CID 172992544

IUPAC6-bromo-4-cyclopropylisoquinoline
SMILESBrc1ccc2cncc(C3CC3)c2c1
InChIInChI=1S/C12H10BrN/c13-10-4-3-9-6-14-7-12(8-1-2-8)11(9)5-10/h3-8H,1-2H2
InChIKeyWEVXJEBVAWEEBK-UHFFFAOYSA-N
MW248.12 g/mol
LogP3.87
Rot. Bonds1

About 6-bromo-4-cyclopropylisoquinoline

6-bromo-4-cyclopropylisoquinoline (PubChem CID 172992544) has the molecular formula C12H10BrN and a molecular weight of 248.12 g/mol. Its IUPAC name is 6-bromo-4-cyclopropylisoquinoline.

Molecular Properties

Compound Name6-bromo-4-cyclopropylisoquinoline
PubChem CID172992544
Molecular FormulaC12H10BrN
Molecular Weight248.12 g/mol
Exact Mass247.00
IUPAC Name6-bromo-4-cyclopropylisoquinoline
SMILESBrc1ccc2cncc(C3CC3)c2c1
InChIInChI=1S/C12H10BrN/c13-10-4-3-9-6-14-7-12(8-1-2-8)11(9)5-10/h3-8H,1-2H2
InChIKeyWEVXJEBVAWEEBK-UHFFFAOYSA-N
XLogP3.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-cyclopropylisoquinoline?
The IUPAC name of 6-bromo-4-cyclopropylisoquinoline (CID 172992544) is 6-bromo-4-cyclopropylisoquinoline.
What is the SMILES notation for 6-bromo-4-cyclopropylisoquinoline?
The canonical SMILES for 6-bromo-4-cyclopropylisoquinoline is Brc1ccc2cncc(C3CC3)c2c1.
What is the InChIKey of 6-bromo-4-cyclopropylisoquinoline?
The InChIKey is WEVXJEBVAWEEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN/c13-10-4-3-9-6-14-7-12(8-1-2-8)11(9)5-10/h3-8H,1-2H2.
What are the key properties of 6-bromo-4-cyclopropylisoquinoline?
6-bromo-4-cyclopropylisoquinoline has a molecular weight of 248.12 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-cyclopropylisoquinoline is sourced from PubChem (CID 172992544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).