2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid

C14H10F3NO4 — CID 175747170

IUPAC2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1ccccc1-c1ccccn1
InChIInChI=1S/C12H9NO2.C2HF3O2/c14-12(15)10-6-2-1-5-9(10)11-7-3-4-8-13-11;3-2(4,5)1(6)7/h1-8H,(H,14,15);(H,6,7)
InChIKeyHIWHHFIADJQBDU-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.08
Rot. Bonds2

About 2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid

2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid (PubChem CID 175747170) has the molecular formula C14H10F3NO4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
PubChem CID175747170
Molecular FormulaC14H10F3NO4
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC Name2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1ccccc1-c1ccccn1
InChIInChI=1S/C12H9NO2.C2HF3O2/c14-12(15)10-6-2-1-5-9(10)11-7-3-4-8-13-11;3-2(4,5)1(6)7/h1-8H,(H,14,15);(H,6,7)
InChIKeyHIWHHFIADJQBDU-UHFFFAOYSA-N
XLogP3.08
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid
CID 175747155
2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782
2-(5-fluoro-2-pyridinyl)benzoic acid
CID 131357741
(2-pyridin-2-ylphenyl) 2,2,2-trifluoroacetate
CID 102529652
2-pyridazin-3-ylbenzoic acid
CID 68896224
2,3-dimethyl-4-pyridin-2-ylbenzoic acid
CID 175747160
2-methylpyridine;2,2,2-trifluoroacetic acid
CID 22066303
1-(2-pyridin-2-ylphenyl)but-2-en-1-one
CID 141062974
quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515
(4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid
CID 68670040
ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid
CID 145383263
2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid
CID 68921390

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid (CID 175747170) is 2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)c1ccccc1-c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is HIWHHFIADJQBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2.C2HF3O2/c14-12(15)10-6-2-1-5-9(10)11-7-3-4-8-13-11;3-2(4,5)1(6)7/h1-8H,(H,14,15);(H,6,7).
What are the key properties of 2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid?
2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 313.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175747170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).