5-fluoro-1-methoxyisoquinoline

C10H8FNO — CID 70328671

IUPAC5-fluoro-1-methoxyisoquinoline
SMILESCOc1nccc2c(F)cccc12
InChIInChI=1S/C10H8FNO/c1-13-10-8-3-2-4-9(11)7(8)5-6-12-10/h2-6H,1H3
InChIKeyXDAKQZVZVHLMAY-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.38
Rot. Bonds1

About 5-fluoro-1-methoxyisoquinoline

5-fluoro-1-methoxyisoquinoline (PubChem CID 70328671) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 5-fluoro-1-methoxyisoquinoline.

Molecular Properties

Compound Name5-fluoro-1-methoxyisoquinoline
PubChem CID70328671
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name5-fluoro-1-methoxyisoquinoline
SMILESCOc1nccc2c(F)cccc12
InChIInChI=1S/C10H8FNO/c1-13-10-8-3-2-4-9(11)7(8)5-6-12-10/h2-6H,1H3
InChIKeyXDAKQZVZVHLMAY-UHFFFAOYSA-N
XLogP2.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methoxyisoquinoline?
The IUPAC name of 5-fluoro-1-methoxyisoquinoline (CID 70328671) is 5-fluoro-1-methoxyisoquinoline.
What is the SMILES notation for 5-fluoro-1-methoxyisoquinoline?
The canonical SMILES for 5-fluoro-1-methoxyisoquinoline is COc1nccc2c(F)cccc12.
What is the InChIKey of 5-fluoro-1-methoxyisoquinoline?
The InChIKey is XDAKQZVZVHLMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-13-10-8-3-2-4-9(11)7(8)5-6-12-10/h2-6H,1H3.
What are the key properties of 5-fluoro-1-methoxyisoquinoline?
5-fluoro-1-methoxyisoquinoline has a molecular weight of 177.18 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methoxyisoquinoline is sourced from PubChem (CID 70328671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).