4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid

C19H12F3NO3 — CID 11348913

IUPAC4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)ccn1
InChIInChI=1S/C19H12F3NO3/c20-19(21,22)26-17-7-2-1-6-15(17)14-5-3-4-12(10-14)13-8-9-23-16(11-13)18(24)25/h1-11H,(H,24,25)
InChIKeyAFYSBNHOPPZXKA-UHFFFAOYSA-N
MW359.30 g/mol
LogP5.01
Rot. Bonds4

About 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid

4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 11348913) has the molecular formula C19H12F3NO3 and a molecular weight of 359.30 g/mol. Its IUPAC name is 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid
PubChem CID11348913
Molecular FormulaC19H12F3NO3
Molecular Weight359.30 g/mol
Exact Mass359.08
IUPAC Name4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)ccn1
InChIInChI=1S/C19H12F3NO3/c20-19(21,22)26-17-7-2-1-6-15(17)14-5-3-4-12(10-14)13-8-9-23-16(11-13)18(24)25/h1-11H,(H,24,25)
InChIKeyAFYSBNHOPPZXKA-UHFFFAOYSA-N
XLogP5.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.30
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid (CID 11348913) is 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)ccn1.
What is the InChIKey of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is AFYSBNHOPPZXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO3/c20-19(21,22)26-17-7-2-1-6-15(17)14-5-3-4-12(10-14)13-8-9-23-16(11-13)18(24)25/h1-11H,(H,24,25).
What are the key properties of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid?
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 359.30 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 11348913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).