6-ethyl-5-fluoroisoquinoline

C11H10FN — CID 67950448

IUPAC6-ethyl-5-fluoroisoquinoline
SMILESCCc1ccc2cnccc2c1F
InChIInChI=1S/C11H10FN/c1-2-8-3-4-9-7-13-6-5-10(9)11(8)12/h3-7H,2H2,1H3
InChIKeyVGFJIOQIHCEBEO-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.94
Rot. Bonds1

About 6-ethyl-5-fluoroisoquinoline

6-ethyl-5-fluoroisoquinoline (PubChem CID 67950448) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 6-ethyl-5-fluoroisoquinoline.

Molecular Properties

Compound Name6-ethyl-5-fluoroisoquinoline
PubChem CID67950448
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name6-ethyl-5-fluoroisoquinoline
SMILESCCc1ccc2cnccc2c1F
InChIInChI=1S/C11H10FN/c1-2-8-3-4-9-7-13-6-5-10(9)11(8)12/h3-7H,2H2,1H3
InChIKeyVGFJIOQIHCEBEO-UHFFFAOYSA-N
XLogP2.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoroisoquinoline?
The IUPAC name of 6-ethyl-5-fluoroisoquinoline (CID 67950448) is 6-ethyl-5-fluoroisoquinoline.
What is the SMILES notation for 6-ethyl-5-fluoroisoquinoline?
The canonical SMILES for 6-ethyl-5-fluoroisoquinoline is CCc1ccc2cnccc2c1F.
What is the InChIKey of 6-ethyl-5-fluoroisoquinoline?
The InChIKey is VGFJIOQIHCEBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c1-2-8-3-4-9-7-13-6-5-10(9)11(8)12/h3-7H,2H2,1H3.
What are the key properties of 6-ethyl-5-fluoroisoquinoline?
6-ethyl-5-fluoroisoquinoline has a molecular weight of 175.21 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoroisoquinoline is sourced from PubChem (CID 67950448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).