2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid

C14H9ClF3NO3 — CID 1477648

IUPAC2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H9ClF3NO3/c15-11-6-9(14(16,17)18)7-19-13(11)22-10-3-1-8(2-4-10)5-12(20)21/h1-4,6-7H,5H2,(H,20,21)
InChIKeyINPDBCCFUWLATH-UHFFFAOYSA-N
MW331.68 g/mol
LogP4.17
Rot. Bonds4

About 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid

2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid (PubChem CID 1477648) has the molecular formula C14H9ClF3NO3 and a molecular weight of 331.68 g/mol. Its IUPAC name is 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid
PubChem CID1477648
Molecular FormulaC14H9ClF3NO3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC Name2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H9ClF3NO3/c15-11-6-9(14(16,17)18)7-19-13(11)22-10-3-1-8(2-4-10)5-12(20)21/h1-4,6-7H,5H2,(H,20,21)
InChIKeyINPDBCCFUWLATH-UHFFFAOYSA-N
XLogP4.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Haloxyfop-P
CID 448979
Haloxyfop
CID 50895
Haloxyfop-methyl
CID 50896
haloxyfop-P-methyl
CID 13363033
4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxyphenol
CID 9795997
Methyl 2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)acetate
CID 3652861
4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}benzoic acid
CID 3730311
5-[[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 46231718
2-{4-[(6-Chloro-3-pyridinyl)methoxy]phenyl}acetic acid
CID 2768471
Rac-3-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenyl)hex-4-ynoic acid
CID 54582630
3-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]benzoic acid
CID 155145976
4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}benzenecarboxamide
CID 1485963

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid (CID 1477648) is 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid is O=C(O)Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid?
The InChIKey is INPDBCCFUWLATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3/c15-11-6-9(14(16,17)18)7-19-13(11)22-10-3-1-8(2-4-10)5-12(20)21/h1-4,6-7H,5H2,(H,20,21).
What are the key properties of 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid?
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid has a molecular weight of 331.68 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid is sourced from PubChem (CID 1477648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).