2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid

C19H12ClF2NO3 — CID 58134622

IUPAC2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1cc(-c2ccc(Cl)c(F)c2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H12ClF2NO3/c20-15-6-3-12(7-16(15)22)13-8-17(11-1-4-14(21)5-2-11)23-18(9-13)26-10-19(24)25/h1-9H,10H2,(H,24,25)
InChIKeyVFYXHKKHZAQFPP-UHFFFAOYSA-N
MW375.76 g/mol
LogP4.81
Rot. Bonds5

About 2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid

2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid (PubChem CID 58134622) has the molecular formula C19H12ClF2NO3 and a molecular weight of 375.76 g/mol. Its IUPAC name is 2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid
PubChem CID58134622
Molecular FormulaC19H12ClF2NO3
Molecular Weight375.76 g/mol
Exact Mass375.05
IUPAC Name2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1cc(-c2ccc(Cl)c(F)c2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H12ClF2NO3/c20-15-6-3-12(7-16(15)22)13-8-17(11-1-4-14(21)5-2-11)23-18(9-13)26-10-19(24)25/h1-9H,10H2,(H,24,25)
InChIKeyVFYXHKKHZAQFPP-UHFFFAOYSA-N
XLogP4.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.76
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid (CID 58134622) is 2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid is O=C(O)COc1cc(-c2ccc(Cl)c(F)c2)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid?
The InChIKey is VFYXHKKHZAQFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2NO3/c20-15-6-3-12(7-16(15)22)13-8-17(11-1-4-14(21)5-2-11)23-18(9-13)26-10-19(24)25/h1-9H,10H2,(H,24,25).
What are the key properties of 2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid?
2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid has a molecular weight of 375.76 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 58134622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).