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

C13H7F4NO3 — CID 123962204

IUPAC2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccc(OC(F)(F)F)cc2F)c1
InChIInChI=1S/C13H7F4NO3/c14-10-6-8(21-13(15,16)17)1-2-9(10)11-5-7(12(19)20)3-4-18-11/h1-6H,(H,19,20)
InChIKeyXBZFSRJAAIECOP-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.48
Rot. Bonds3

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

2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid (PubChem CID 123962204) has the molecular formula C13H7F4NO3 and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
PubChem CID123962204
Molecular FormulaC13H7F4NO3
Molecular Weight301.20 g/mol
Exact Mass301.04
IUPAC Name2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccc(OC(F)(F)F)cc2F)c1
InChIInChI=1S/C13H7F4NO3/c14-10-6-8(21-13(15,16)17)1-2-9(10)11-5-7(12(19)20)3-4-18-11/h1-6H,(H,19,20)
InChIKeyXBZFSRJAAIECOP-UHFFFAOYSA-N
XLogP3.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid (CID 123962204) is 2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccc(OC(F)(F)F)cc2F)c1.
What is the InChIKey of 2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid?
The InChIKey is XBZFSRJAAIECOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO3/c14-10-6-8(21-13(15,16)17)1-2-9(10)11-5-7(12(19)20)3-4-18-11/h1-6H,(H,19,20).
What are the key properties of 2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid?
2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid has a molecular weight of 301.20 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 123962204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).