6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid

C13H10FNO3 — CID 23657912

IUPAC6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)nc1-c1ccc(F)cc1
InChIInChI=1S/C13H10FNO3/c1-18-11-7-6-10(13(16)17)15-12(11)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,16,17)
InChIKeyWBNCEBCGHKCDRE-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.59
Rot. Bonds3

About 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid

6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid (PubChem CID 23657912) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid
PubChem CID23657912
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)nc1-c1ccc(F)cc1
InChIInChI=1S/C13H10FNO3/c1-18-11-7-6-10(13(16)17)15-12(11)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,16,17)
InChIKeyWBNCEBCGHKCDRE-UHFFFAOYSA-N
XLogP2.59
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid (CID 23657912) is 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid is COc1ccc(C(=O)O)nc1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid?
The InChIKey is WBNCEBCGHKCDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-18-11-7-6-10(13(16)17)15-12(11)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,16,17).
What are the key properties of 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid?
6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 23657912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).