5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid

C20H12F3NO3 — CID 69399073

IUPAC5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)c3ccccc3C(F)(F)F)cc2)cn1
InChIInChI=1S/C20H12F3NO3/c21-20(22,23)16-4-2-1-3-15(16)18(25)13-7-5-12(6-8-13)14-9-10-17(19(26)27)24-11-14/h1-11H,(H,26,27)
InChIKeyVHLBVICTXOEUTG-UHFFFAOYSA-N
MW371.31 g/mol
LogP4.70
Rot. Bonds4

About 5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid

5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 69399073) has the molecular formula C20H12F3NO3 and a molecular weight of 371.31 g/mol. Its IUPAC name is 5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid
PubChem CID69399073
Molecular FormulaC20H12F3NO3
Molecular Weight371.31 g/mol
Exact Mass371.08
IUPAC Name5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)c3ccccc3C(F)(F)F)cc2)cn1
InChIInChI=1S/C20H12F3NO3/c21-20(22,23)16-4-2-1-3-15(16)18(25)13-7-5-12(6-8-13)14-9-10-17(19(26)27)24-11-14/h1-11H,(H,26,27)
InChIKeyVHLBVICTXOEUTG-UHFFFAOYSA-N
XLogP4.70
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide
CID 69397773
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 163987169
5-benzoylpyridine-2-carboxylic acid
CID 165358123
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-phenylpyridine-2-carboxamide
CID 25164925
5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid
CID 21333395
6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid
CID 69421532
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxylic acid
CID 69400274
5-(3-carboxyphenyl)pyridine-2-carboxylic acid
CID 53223177
pyridine-2,5-dicarboxylic acid
CID 158970171
5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid
CID 155051674
(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid (CID 69399073) is 5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(C(=O)c3ccccc3C(F)(F)F)cc2)cn1.
What is the InChIKey of 5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is VHLBVICTXOEUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO3/c21-20(22,23)16-4-2-1-3-15(16)18(25)13-7-5-12(6-8-13)14-9-10-17(19(26)27)24-11-14/h1-11H,(H,26,27).
What are the key properties of 5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid?
5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 371.31 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69399073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).