3-fluoro-8-methoxycinnoline-6-carboxylic acid

C10H7FN2O3 — CID 156872922

IUPAC3-fluoro-8-methoxycinnoline-6-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2cc(F)nnc12
InChIInChI=1S/C10H7FN2O3/c1-16-7-3-6(10(14)15)2-5-4-8(11)12-13-9(5)7/h2-4H,1H3,(H,14,15)
InChIKeyQONFIXLKPGTPMI-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.48
Rot. Bonds2

About 3-fluoro-8-methoxycinnoline-6-carboxylic acid

3-fluoro-8-methoxycinnoline-6-carboxylic acid (PubChem CID 156872922) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-fluoro-8-methoxycinnoline-6-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-8-methoxycinnoline-6-carboxylic acid
PubChem CID156872922
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name3-fluoro-8-methoxycinnoline-6-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2cc(F)nnc12
InChIInChI=1S/C10H7FN2O3/c1-16-7-3-6(10(14)15)2-5-4-8(11)12-13-9(5)7/h2-4H,1H3,(H,14,15)
InChIKeyQONFIXLKPGTPMI-UHFFFAOYSA-N
XLogP1.48
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-8-methoxycinnoline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-methoxycinnoline-6-carboxylic acid?
The IUPAC name of 3-fluoro-8-methoxycinnoline-6-carboxylic acid (CID 156872922) is 3-fluoro-8-methoxycinnoline-6-carboxylic acid.
What is the SMILES notation for 3-fluoro-8-methoxycinnoline-6-carboxylic acid?
The canonical SMILES for 3-fluoro-8-methoxycinnoline-6-carboxylic acid is COc1cc(C(=O)O)cc2cc(F)nnc12.
What is the InChIKey of 3-fluoro-8-methoxycinnoline-6-carboxylic acid?
The InChIKey is QONFIXLKPGTPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c1-16-7-3-6(10(14)15)2-5-4-8(11)12-13-9(5)7/h2-4H,1H3,(H,14,15).
What are the key properties of 3-fluoro-8-methoxycinnoline-6-carboxylic acid?
3-fluoro-8-methoxycinnoline-6-carboxylic acid has a molecular weight of 222.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-methoxycinnoline-6-carboxylic acid is sourced from PubChem (CID 156872922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).