2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

C19H10ClF4NO3 — CID 24800271

IUPAC2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)c(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1Cl
InChIInChI=1S/C19H10ClF4NO3/c20-13-6-1-2-7-15(13)28-17-12(18(26)27)9-14(21)16(25-17)10-4-3-5-11(8-10)19(22,23)24/h1-9H,(H,26,27)
InChIKeyMAHKIZSWIAXGID-UHFFFAOYSA-N
MW411.74 g/mol
LogP6.05
Rot. Bonds4

About 2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 24800271) has the molecular formula C19H10ClF4NO3 and a molecular weight of 411.74 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID24800271
Molecular FormulaC19H10ClF4NO3
Molecular Weight411.74 g/mol
Exact Mass411.03
IUPAC Name2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)c(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1Cl
InChIInChI=1S/C19H10ClF4NO3/c20-13-6-1-2-7-15(13)28-17-12(18(26)27)9-14(21)16(25-17)10-4-3-5-11(8-10)19(22,23)24/h1-9H,(H,26,27)
InChIKeyMAHKIZSWIAXGID-UHFFFAOYSA-N
XLogP6.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.74
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 24800271) is 2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cc(F)c(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is MAHKIZSWIAXGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF4NO3/c20-13-6-1-2-7-15(13)28-17-12(18(26)27)9-14(21)16(25-17)10-4-3-5-11(8-10)19(22,23)24/h1-9H,(H,26,27).
What are the key properties of 2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 411.74 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 24800271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).