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

C15H9F6NO3 — CID 118808116

IUPAC2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)cnc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H9F6NO3/c16-14(17,18)10-4-9(6-12(23)24)13(22-7-10)8-2-1-3-11(5-8)25-15(19,20)21/h1-5,7H,6H2,(H,23,24)
InChIKeyNCLIVVQFMJBVMU-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.29
Rot. Bonds4

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

2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 118808116) has the molecular formula C15H9F6NO3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID118808116
Molecular FormulaC15H9F6NO3
Molecular Weight365.23 g/mol
Exact Mass365.05
IUPAC Name2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)cnc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H9F6NO3/c16-14(17,18)10-4-9(6-12(23)24)13(22-7-10)8-2-1-3-11(5-8)25-15(19,20)21/h1-5,7H,6H2,(H,23,24)
InChIKeyNCLIVVQFMJBVMU-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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Related Compounds

2-[5-fluoro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089299
2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134625724
2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118830660
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301
4-[2-phenyl-5-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 68842446
2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 172650218
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 134628859
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118819248
2-[2-fluoro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 133089276
[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133086826
2-[2-chloro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 119017945
2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
CID 133091653

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 118808116) is 2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)(F)F)cnc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is NCLIVVQFMJBVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6NO3/c16-14(17,18)10-4-9(6-12(23)24)13(22-7-10)8-2-1-3-11(5-8)25-15(19,20)21/h1-5,7H,6H2,(H,23,24).
What are the key properties of 2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid?
2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-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-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118808116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).