2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid

C8H6F3NO2 — CID 51695709

IUPAC2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)6-2-1-5(4-12-6)3-7(13)14/h1-2,4H,3H2,(H,13,14)
InChIKeyGONSDVSNRVDRPU-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.73
Rot. Bonds2

About 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid

2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 51695709) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID51695709
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)6-2-1-5(4-12-6)3-7(13)14/h1-2,4H,3H2,(H,13,14)
InChIKeyGONSDVSNRVDRPU-UHFFFAOYSA-N
XLogP1.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyridineacetic acid
CID 108
Acetic acid, (p-(1-pyrrolyl)phenyl)-
CID 30923
2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
3-(Pyridin-4-yl)propanoic acid
CID 233243
3-(Pyridin-3-yl)propanoic acid
CID 259624
Ethyl 3-pyridylacetate
CID 96490
3-Pyridinebutanoic acid
CID 114
3-(Pyridin-2-yl)propanoic acid
CID 564292
2-Pyridineacetic acid
CID 85318
Methyl 2-pyridylacetate
CID 74264
Methyl pyridine-3-acetate
CID 96475
2-(6-Chloropyridin-3-yl)acetic acid
CID 14071571

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 51695709) is 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid is O=C(O)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is GONSDVSNRVDRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-8(10,11)6-2-1-5(4-12-6)3-7(13)14/h1-2,4H,3H2,(H,13,14).
What are the key properties of 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid?
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 205.13 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 51695709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).