2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

C19H9ClF5NO3 — CID 24800104

IUPAC2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)cc(-c2cc(F)cc(F)c2)nc1Oc1ccccc1Cl
InChIInChI=1S/C19H9ClF5NO3/c20-13-3-1-2-4-15(13)29-17-16(18(27)28)12(19(23,24)25)8-14(26-17)9-5-10(21)7-11(22)6-9/h1-8H,(H,27,28)
InChIKeyJKGABPAGDNXZML-UHFFFAOYSA-N
MW429.73 g/mol
LogP6.19
Rot. Bonds4

About 2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 24800104) has the molecular formula C19H9ClF5NO3 and a molecular weight of 429.73 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID24800104
Molecular FormulaC19H9ClF5NO3
Molecular Weight429.73 g/mol
Exact Mass429.02
IUPAC Name2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)cc(-c2cc(F)cc(F)c2)nc1Oc1ccccc1Cl
InChIInChI=1S/C19H9ClF5NO3/c20-13-3-1-2-4-15(13)29-17-16(18(27)28)12(19(23,24)25)8-14(26-17)9-5-10(21)7-11(22)6-9/h1-8H,(H,27,28)
InChIKeyJKGABPAGDNXZML-UHFFFAOYSA-N
XLogP6.19
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.73
LogP ≤ 56.19
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-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 24800104) is 2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1c(C(F)(F)F)cc(-c2cc(F)cc(F)c2)nc1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is JKGABPAGDNXZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9ClF5NO3/c20-13-3-1-2-4-15(13)29-17-16(18(27)28)12(19(23,24)25)8-14(26-17)9-5-10(21)7-11(22)6-9/h1-8H,(H,27,28).
What are the key properties of 2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(2-chlorophenoxy)-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 429.73 g/mol, XLogP of 6.19, 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-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 24800104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).