3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid

C12H6F3NO2 — CID 90044045

IUPAC3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(F)cc1-c1cc(F)ccc1F
InChIInChI=1S/C12H6F3NO2/c13-6-1-2-10(15)8(3-6)9-4-7(14)5-16-11(9)12(17)18/h1-5H,(H,17,18)
InChIKeyDVJJUOPEEMUBMB-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.86
Rot. Bonds2

About 3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid

3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 90044045) has the molecular formula C12H6F3NO2 and a molecular weight of 253.18 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
PubChem CID90044045
Molecular FormulaC12H6F3NO2
Molecular Weight253.18 g/mol
Exact Mass253.04
IUPAC Name3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(F)cc1-c1cc(F)ccc1F
InChIInChI=1S/C12H6F3NO2/c13-6-1-2-10(15)8(3-6)9-4-7(14)5-16-11(9)12(17)18/h1-5H,(H,17,18)
InChIKeyDVJJUOPEEMUBMB-UHFFFAOYSA-N
XLogP2.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid (CID 90044045) is 3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid is O=C(O)c1ncc(F)cc1-c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is DVJJUOPEEMUBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3NO2/c13-6-1-2-10(15)8(3-6)9-4-7(14)5-16-11(9)12(17)18/h1-5H,(H,17,18).
What are the key properties of 3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid?
3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 253.18 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 90044045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).