3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid

C9H8F3NO2 — CID 2783390

IUPAC3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
SMILESO=C(O)CCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)7-3-1-6(5-13-7)2-4-8(14)15/h1,3,5H,2,4H2,(H,14,15)
InChIKeyBMMLLDYJLFQFJS-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.12
Rot. Bonds3

About 3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid

3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid (PubChem CID 2783390) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
PubChem CID2783390
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
SMILESO=C(O)CCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)7-3-1-6(5-13-7)2-4-8(14)15/h1,3,5H,2,4H2,(H,14,15)
InChIKeyBMMLLDYJLFQFJS-UHFFFAOYSA-N
XLogP2.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isbogrel
CID 5284442
2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
3-(Pyridin-4-yl)propanoic acid
CID 233243
3-(Pyridin-3-yl)propanoic acid
CID 259624
3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid
CID 3238289
3-Pyridinebutanoic acid
CID 114
3-(3-Pyridyl)alanine
CID 152953
3-(Pyridin-2-yl)propanoic acid
CID 564292
2-Pyridineacetic acid
CID 85318
(Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 6537201
Sulcatin
CID 10329907
2-(5-Fluoro-3-methylpyridin-2-yl)acetic acid
CID 60164443

Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
The IUPAC name of 3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid (CID 2783390) is 3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
The canonical SMILES for 3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid is O=C(O)CCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
The InChIKey is BMMLLDYJLFQFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-9(11,12)7-3-1-6(5-13-7)2-4-8(14)15/h1,3,5H,2,4H2,(H,14,15).
What are the key properties of 3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid has a molecular weight of 219.16 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 2783390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).