3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid

C16H14F3NO3 — CID 22261821

IUPAC3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid
SMILESO=C(O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccncc1
InChIInChI=1S/C16H14F3NO3/c17-16(18,19)12-3-1-10(2-4-12)9-13(15(22)23)14(21)11-5-7-20-8-6-11/h1-8,13-14,21H,9H2,(H,22,23)
InChIKeyUZDPQAKRDOGFSW-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.08
Rot. Bonds5

About 3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid

3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid (PubChem CID 22261821) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid
PubChem CID22261821
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid
SMILESO=C(O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccncc1
InChIInChI=1S/C16H14F3NO3/c17-16(18,19)12-3-1-10(2-4-12)9-13(15(22)23)14(21)11-5-7-20-8-6-11/h1-8,13-14,21H,9H2,(H,22,23)
InChIKeyUZDPQAKRDOGFSW-UHFFFAOYSA-N
XLogP3.08
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid?
The IUPAC name of 3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid (CID 22261821) is 3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid.
What is the SMILES notation for 3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid?
The canonical SMILES for 3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid is O=C(O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccncc1.
What is the InChIKey of 3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid?
The InChIKey is UZDPQAKRDOGFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c17-16(18,19)12-3-1-10(2-4-12)9-13(15(22)23)14(21)11-5-7-20-8-6-11/h1-8,13-14,21H,9H2,(H,22,23).
What are the key properties of 3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid?
3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid has a molecular weight of 325.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid is sourced from PubChem (CID 22261821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).