2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid

C20H15ClFNO4 — CID 24800106

IUPAC2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(C)c(C(=O)O)c(Oc3ccccc3Cl)n2)c1F
InChIInChI=1S/C20H15ClFNO4/c1-11-10-14(12-6-5-9-16(26-2)18(12)22)23-19(17(11)20(24)25)27-15-8-4-3-7-13(15)21/h3-10H,1-2H3,(H,24,25)
InChIKeyLKAIFISMTOUWIO-UHFFFAOYSA-N
MW387.79 g/mol
LogP5.35
Rot. Bonds5

About 2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid

2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid (PubChem CID 24800106) has the molecular formula C20H15ClFNO4 and a molecular weight of 387.79 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid
PubChem CID24800106
Molecular FormulaC20H15ClFNO4
Molecular Weight387.79 g/mol
Exact Mass387.07
IUPAC Name2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(C)c(C(=O)O)c(Oc3ccccc3Cl)n2)c1F
InChIInChI=1S/C20H15ClFNO4/c1-11-10-14(12-6-5-9-16(26-2)18(12)22)23-19(17(11)20(24)25)27-15-8-4-3-7-13(15)21/h3-10H,1-2H3,(H,24,25)
InChIKeyLKAIFISMTOUWIO-UHFFFAOYSA-N
XLogP5.35
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.79
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid (CID 24800106) is 2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid is COc1cccc(-c2cc(C)c(C(=O)O)c(Oc3ccccc3Cl)n2)c1F.
What is the InChIKey of 2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid?
The InChIKey is LKAIFISMTOUWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO4/c1-11-10-14(12-6-5-9-16(26-2)18(12)22)23-19(17(11)20(24)25)27-15-8-4-3-7-13(15)21/h3-10H,1-2H3,(H,24,25).
What are the key properties of 2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid?
2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid has a molecular weight of 387.79 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-6-(2-fluoro-3-methoxyphenyl)-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 24800106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).