2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

C20H12ClF4NO3 — CID 24755592

IUPAC2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(F)(F)F)c(C(=O)O)c(Oc3ccccc3Cl)n2)cc1F
InChIInChI=1S/C20H12ClF4NO3/c1-10-6-7-11(8-14(10)22)15-9-12(20(23,24)25)17(19(27)28)18(26-15)29-16-5-3-2-4-13(16)21/h2-9H,1H3,(H,27,28)
InChIKeyGAJQNJQHXKPGCA-UHFFFAOYSA-N
MW425.77 g/mol
LogP6.36
Rot. Bonds4

About 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 24755592) has the molecular formula C20H12ClF4NO3 and a molecular weight of 425.77 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID24755592
Molecular FormulaC20H12ClF4NO3
Molecular Weight425.77 g/mol
Exact Mass425.04
IUPAC Name2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(F)(F)F)c(C(=O)O)c(Oc3ccccc3Cl)n2)cc1F
InChIInChI=1S/C20H12ClF4NO3/c1-10-6-7-11(8-14(10)22)15-9-12(20(23,24)25)17(19(27)28)18(26-15)29-16-5-3-2-4-13(16)21/h2-9H,1H3,(H,27,28)
InChIKeyGAJQNJQHXKPGCA-UHFFFAOYSA-N
XLogP6.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.77
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 24755592) is 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1ccc(-c2cc(C(F)(F)F)c(C(=O)O)c(Oc3ccccc3Cl)n2)cc1F.
What is the InChIKey of 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is GAJQNJQHXKPGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF4NO3/c1-10-6-7-11(8-14(10)22)15-9-12(20(23,24)25)17(19(27)28)18(26-15)29-16-5-3-2-4-13(16)21/h2-9H,1H3,(H,27,28).
What are the key properties of 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 425.77 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 24755592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).