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

C8H6F3NO3 — CID 170997237

IUPAC2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cncc(OC(F)(F)F)c1
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)15-6-1-5(2-7(13)14)3-12-4-6/h1,3-4H,2H2,(H,13,14)
InChIKeyINDXZVPUJIJTSQ-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.61
Rot. Bonds3

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

2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid (PubChem CID 170997237) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid
PubChem CID170997237
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cncc(OC(F)(F)F)c1
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)15-6-1-5(2-7(13)14)3-12-4-6/h1,3-4H,2H2,(H,13,14)
InChIKeyINDXZVPUJIJTSQ-UHFFFAOYSA-N
XLogP1.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one
CID 174736151
2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 163370850
2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134620292
2-[5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133095484
2-[5-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870060
2-[4-iodo-3-(trifluoromethoxy)phenyl]acetic acid
CID 170998285
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301
2-[2-fluoro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 133089276
2-[2-chloro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 119017945
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
CID 170998746
2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134628691
2-[2,6-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134618210

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid (CID 170997237) is 2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid is O=C(O)Cc1cncc(OC(F)(F)F)c1.
What is the InChIKey of 2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The InChIKey is INDXZVPUJIJTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-8(10,11)15-6-1-5(2-7(13)14)3-12-4-6/h1,3-4H,2H2,(H,13,14).
What are the key properties of 2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid?
2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid has a molecular weight of 221.13 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid is sourced from PubChem (CID 170997237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).