5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid

C20H16F3NO3 — CID 143975568

IUPAC5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid
SMILESCN1C=C(O)C(C(=O)O)=CC1c1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C20H16F3NO3/c1-24-11-18(25)15(19(26)27)10-17(24)13-7-8-14(12-5-3-2-4-6-12)16(9-13)20(21,22)23/h2-11,17,25H,1H3,(H,26,27)
InChIKeyYGSWINNWOWLREC-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.77
Rot. Bonds3

About 5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid

5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid (PubChem CID 143975568) has the molecular formula C20H16F3NO3 and a molecular weight of 375.35 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid
PubChem CID143975568
Molecular FormulaC20H16F3NO3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Name5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid
SMILESCN1C=C(O)C(C(=O)O)=CC1c1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C20H16F3NO3/c1-24-11-18(25)15(19(26)27)10-17(24)13-7-8-14(12-5-3-2-4-6-12)16(9-13)20(21,22)23/h2-11,17,25H,1H3,(H,26,27)
InChIKeyYGSWINNWOWLREC-UHFFFAOYSA-N
XLogP4.77
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid (CID 143975568) is 5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid is CN1C=C(O)C(C(=O)O)=CC1c1ccc(-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid?
The InChIKey is YGSWINNWOWLREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3/c1-24-11-18(25)15(19(26)27)10-17(24)13-7-8-14(12-5-3-2-4-6-12)16(9-13)20(21,22)23/h2-11,17,25H,1H3,(H,26,27).
What are the key properties of 5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid?
5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid has a molecular weight of 375.35 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-2-[4-phenyl-3-(trifluoromethyl)phenyl]-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 143975568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).