3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid

C13H8F3NO3 — CID 175747155

IUPAC3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1cccc(-c2ccccn2)c1OC(F)(F)F
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-11-8(10-6-1-2-7-17-10)4-3-5-9(11)12(18)19/h1-7H,(H,18,19)
InChIKeyBVYJIIKVPDGBNQ-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.35
Rot. Bonds3

About 3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid

3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid (PubChem CID 175747155) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid.

Molecular Properties

Compound Name3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid
PubChem CID175747155
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1cccc(-c2ccccn2)c1OC(F)(F)F
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-11-8(10-6-1-2-7-17-10)4-3-5-9(11)12(18)19/h1-7H,(H,18,19)
InChIKeyBVYJIIKVPDGBNQ-UHFFFAOYSA-N
XLogP3.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid?
The IUPAC name of 3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid (CID 175747155) is 3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid.
What is the SMILES notation for 3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid?
The canonical SMILES for 3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid is O=C(O)c1cccc(-c2ccccn2)c1OC(F)(F)F.
What is the InChIKey of 3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid?
The InChIKey is BVYJIIKVPDGBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)20-11-8(10-6-1-2-7-17-10)4-3-5-9(11)12(18)19/h1-7H,(H,18,19).
What are the key properties of 3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid?
3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid has a molecular weight of 283.21 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-2-(trifluoromethoxy)benzoic acid is sourced from PubChem (CID 175747155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).