7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid

C11H8FNO4 — CID 175651724

IUPAC7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid
SMILESCOn1c(C(=O)O)cc2ccc(F)cc2c1=O
InChIInChI=1S/C11H8FNO4/c1-17-13-9(11(15)16)4-6-2-3-7(12)5-8(6)10(13)14/h2-5H,1H3,(H,15,16)
InChIKeySUCHGVWGPJPDRT-UHFFFAOYSA-N
MW237.19 g/mol
LogP0.90
Rot. Bonds2

About 7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid

7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid (PubChem CID 175651724) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid
PubChem CID175651724
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid
SMILESCOn1c(C(=O)O)cc2ccc(F)cc2c1=O
InChIInChI=1S/C11H8FNO4/c1-17-13-9(11(15)16)4-6-2-3-7(12)5-8(6)10(13)14/h2-5H,1H3,(H,15,16)
InChIKeySUCHGVWGPJPDRT-UHFFFAOYSA-N
XLogP0.90
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid?
The IUPAC name of 7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid (CID 175651724) is 7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid?
The canonical SMILES for 7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid is COn1c(C(=O)O)cc2ccc(F)cc2c1=O.
What is the InChIKey of 7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid?
The InChIKey is SUCHGVWGPJPDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c1-17-13-9(11(15)16)4-6-2-3-7(12)5-8(6)10(13)14/h2-5H,1H3,(H,15,16).
What are the key properties of 7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid?
7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid has a molecular weight of 237.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid is sourced from PubChem (CID 175651724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).