2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid

C15H9F6NO3 — CID 134621231

IUPAC2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(C(F)(F)F)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H9F6NO3/c16-14(17,18)8-5-10(11(22-7-8)6-13(23)24)9-3-1-2-4-12(9)25-15(19,20)21/h1-5,7H,6H2,(H,23,24)
InChIKeyDRAOZONRSIYUNT-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.29
Rot. Bonds4

About 2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid

2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 134621231) has the molecular formula C15H9F6NO3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID134621231
Molecular FormulaC15H9F6NO3
Molecular Weight365.23 g/mol
Exact Mass365.05
IUPAC Name2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(C(F)(F)F)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H9F6NO3/c16-14(17,18)8-5-10(11(22-7-8)6-13(23)24)9-3-1-2-4-12(9)25-15(19,20)21/h1-5,7H,6H2,(H,23,24)
InChIKeyDRAOZONRSIYUNT-UHFFFAOYSA-N
XLogP4.29
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 134621231) is 2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(C(F)(F)F)cc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is DRAOZONRSIYUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6NO3/c16-14(17,18)8-5-10(11(22-7-8)6-13(23)24)9-3-1-2-4-12(9)25-15(19,20)21/h1-5,7H,6H2,(H,23,24).
What are the key properties of 2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 365.23 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134621231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).