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

C13H8F3NO3 — CID 53211478

IUPAC5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-10-4-1-8(2-5-10)9-3-6-11(12(18)19)17-7-9/h1-7H,(H,18,19)
InChIKeyQBQYGERNZIAGJK-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.35
Rot. Bonds3

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

5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid (PubChem CID 53211478) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
PubChem CID53211478
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-10-4-1-8(2-5-10)9-3-6-11(12(18)19)17-7-9/h1-7H,(H,18,19)
InChIKeyQBQYGERNZIAGJK-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 5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid (CID 53211478) is 5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The InChIKey is QBQYGERNZIAGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)20-10-4-1-8(2-5-10)9-3-6-11(12(18)19)17-7-9/h1-7H,(H,18,19).
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic 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 5-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 53211478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).