2-(8-fluoroisoquinolin-5-yl)acetamide

C11H9FN2O — CID 82575252

IUPAC2-(8-fluoroisoquinolin-5-yl)acetamide
SMILESNC(=O)Cc1ccc(F)c2cnccc12
InChIInChI=1S/C11H9FN2O/c12-10-2-1-7(5-11(13)15)8-3-4-14-6-9(8)10/h1-4,6H,5H2,(H2,13,15)
InChIKeyRVYPJNJRYDXMEH-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.40
Rot. Bonds2

About 2-(8-fluoroisoquinolin-5-yl)acetamide

2-(8-fluoroisoquinolin-5-yl)acetamide (PubChem CID 82575252) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-(8-fluoroisoquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(8-fluoroisoquinolin-5-yl)acetamide
PubChem CID82575252
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name2-(8-fluoroisoquinolin-5-yl)acetamide
SMILESNC(=O)Cc1ccc(F)c2cnccc12
InChIInChI=1S/C11H9FN2O/c12-10-2-1-7(5-11(13)15)8-3-4-14-6-9(8)10/h1-4,6H,5H2,(H2,13,15)
InChIKeyRVYPJNJRYDXMEH-UHFFFAOYSA-N
XLogP1.40
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoroisoquinolin-5-yl)acetamide?
The IUPAC name of 2-(8-fluoroisoquinolin-5-yl)acetamide (CID 82575252) is 2-(8-fluoroisoquinolin-5-yl)acetamide.
What is the SMILES notation for 2-(8-fluoroisoquinolin-5-yl)acetamide?
The canonical SMILES for 2-(8-fluoroisoquinolin-5-yl)acetamide is NC(=O)Cc1ccc(F)c2cnccc12.
What is the InChIKey of 2-(8-fluoroisoquinolin-5-yl)acetamide?
The InChIKey is RVYPJNJRYDXMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-10-2-1-7(5-11(13)15)8-3-4-14-6-9(8)10/h1-4,6H,5H2,(H2,13,15).
What are the key properties of 2-(8-fluoroisoquinolin-5-yl)acetamide?
2-(8-fluoroisoquinolin-5-yl)acetamide has a molecular weight of 204.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoroisoquinolin-5-yl)acetamide is sourced from PubChem (CID 82575252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).