5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid

C8H8FNO4 — CID 69020568

IUPAC5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid
SMILESCOc1c(F)cnc(C(=O)O)c1OC
InChIInChI=1S/C8H8FNO4/c1-13-6-4(9)3-10-5(8(11)12)7(6)14-2/h3H,1-2H3,(H,11,12)
InChIKeyOFNSODRWYFRKRN-UHFFFAOYSA-N
MW201.15 g/mol
LogP0.94
Rot. Bonds3

About 5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid

5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid (PubChem CID 69020568) has the molecular formula C8H8FNO4 and a molecular weight of 201.15 g/mol. Its IUPAC name is 5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid
PubChem CID69020568
Molecular FormulaC8H8FNO4
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid
SMILESCOc1c(F)cnc(C(=O)O)c1OC
InChIInChI=1S/C8H8FNO4/c1-13-6-4(9)3-10-5(8(11)12)7(6)14-2/h3H,1-2H3,(H,11,12)
InChIKeyOFNSODRWYFRKRN-UHFFFAOYSA-N
XLogP0.94
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid?
The IUPAC name of 5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid (CID 69020568) is 5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid is COc1c(F)cnc(C(=O)O)c1OC.
What is the InChIKey of 5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid?
The InChIKey is OFNSODRWYFRKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4/c1-13-6-4(9)3-10-5(8(11)12)7(6)14-2/h3H,1-2H3,(H,11,12).
What are the key properties of 5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid?
5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid has a molecular weight of 201.15 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,4-dimethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 69020568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).