2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid

C14H8F3NO3 — CID 10085854

IUPAC2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(C(F)(F)F)cc1C(=O)c1cccnc1
InChIInChI=1S/C14H8F3NO3/c15-14(16,17)9-3-4-10(13(20)21)11(6-9)12(19)8-2-1-5-18-7-8/h1-7H,(H,20,21)
InChIKeyNWJUULDZEPSBKG-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.03
Rot. Bonds3

About 2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid

2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid (PubChem CID 10085854) has the molecular formula C14H8F3NO3 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid
PubChem CID10085854
Molecular FormulaC14H8F3NO3
Molecular Weight295.22 g/mol
Exact Mass295.05
IUPAC Name2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(C(F)(F)F)cc1C(=O)c1cccnc1
InChIInChI=1S/C14H8F3NO3/c15-14(16,17)9-3-4-10(13(20)21)11(6-9)12(19)8-2-1-5-18-7-8/h1-7H,(H,20,21)
InChIKeyNWJUULDZEPSBKG-UHFFFAOYSA-N
XLogP3.03
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622258
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
[3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621945
2-[3-(trifluoromethoxy)benzoyl]-5-(trifluoromethyl)benzoic acid
CID 22079233
2-benzoyl-4-tert-butylbenzoic acid
CID 3106283
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
[3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621971
[4-(trifluoromethyl)phenyl] pyridine-3-carboxylate
CID 144826285
3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid
CID 19700744
[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-pyridin-3-ylmethanone
CID 169066784

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid (CID 10085854) is 2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid is O=C(O)c1ccc(C(F)(F)F)cc1C(=O)c1cccnc1.
What is the InChIKey of 2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid?
The InChIKey is NWJUULDZEPSBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3/c15-14(16,17)9-3-4-10(13(20)21)11(6-9)12(19)8-2-1-5-18-7-8/h1-7H,(H,20,21).
What are the key properties of 2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid?
2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid has a molecular weight of 295.22 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 10085854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).