2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid

C15H12F3NO2 — CID 68761400

IUPAC2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid
SMILESCC(C(=O)O)c1cncc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H12F3NO2/c1-9(14(20)21)11-6-12(8-19-7-11)10-2-4-13(5-3-10)15(16,17)18/h2-9H,1H3,(H,20,21)
InChIKeySYYKRFHWCNPFFE-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.96
Rot. Bonds3

About 2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid

2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid (PubChem CID 68761400) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid
PubChem CID68761400
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid
SMILESCC(C(=O)O)c1cncc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H12F3NO2/c1-9(14(20)21)11-6-12(8-19-7-11)10-2-4-13(5-3-10)15(16,17)18/h2-9H,1H3,(H,20,21)
InChIKeySYYKRFHWCNPFFE-UHFFFAOYSA-N
XLogP3.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
(2S)-2-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
CID 52939724
2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 170943037
2-[3-[4-(trifluoromethyl)phenyl]triazol-4-yl]propanoic acid
CID 117167409
(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid
CID 15941789
2-[4-(1,1-difluoroethyl)phenyl]propanoic acid
CID 84680228
4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 175895572
2-[3,4-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methylbutanoic acid
CID 87697048
2-methyl-4-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137107220
2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134618070
4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]pentanoic acid
CID 25267637
4-methyl-2-[2-(6-methyl-3-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]pentanoic acid
CID 59161723

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid?
The IUPAC name of 2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid (CID 68761400) is 2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid?
The canonical SMILES for 2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid is CC(C(=O)O)c1cncc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid?
The InChIKey is SYYKRFHWCNPFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-9(14(20)21)11-6-12(8-19-7-11)10-2-4-13(5-3-10)15(16,17)18/h2-9H,1H3,(H,20,21).
What are the key properties of 2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid?
2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid has a molecular weight of 295.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid is sourced from PubChem (CID 68761400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).