3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid

C13H10FNO4 — CID 105379912

IUPAC3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
SMILESCOc1cccc(Oc2nccc(C(=O)O)c2F)c1
InChIInChI=1S/C13H10FNO4/c1-18-8-3-2-4-9(7-8)19-12-11(14)10(13(16)17)5-6-15-12/h2-7H,1H3,(H,16,17)
InChIKeyYXKHZFSGZKBZPD-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.72
Rot. Bonds4

About 3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid

3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid (PubChem CID 105379912) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
PubChem CID105379912
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
SMILESCOc1cccc(Oc2nccc(C(=O)O)c2F)c1
InChIInChI=1S/C13H10FNO4/c1-18-8-3-2-4-9(7-8)19-12-11(14)10(13(16)17)5-6-15-12/h2-7H,1H3,(H,16,17)
InChIKeyYXKHZFSGZKBZPD-UHFFFAOYSA-N
XLogP2.72
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 105379997
2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid
CID 105380007
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293
4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid
CID 140976686
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid
CID 105380111
3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380025
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 105379913
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770
3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid
CID 107063434
3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380022
3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380037

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid (CID 105379912) is 3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid is COc1cccc(Oc2nccc(C(=O)O)c2F)c1.
What is the InChIKey of 3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid?
The InChIKey is YXKHZFSGZKBZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c1-18-8-3-2-4-9(7-8)19-12-11(14)10(13(16)17)5-6-15-12/h2-7H,1H3,(H,16,17).
What are the key properties of 3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid?
3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 105379912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).