6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid

C7H4F3NO2 — CID 130096474

IUPAC6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(C(F)F)n1
InChIInChI=1S/C7H4F3NO2/c8-3-1-2-4(7(12)13)11-5(3)6(9)10/h1-2,6H,(H,12,13)
InChIKeyRYTNCGHSYKYCOW-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.86
Rot. Bonds2

About 6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid

6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 130096474) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
PubChem CID130096474
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(C(F)F)n1
InChIInChI=1S/C7H4F3NO2/c8-3-1-2-4(7(12)13)11-5(3)6(9)10/h1-2,6H,(H,12,13)
InChIKeyRYTNCGHSYKYCOW-UHFFFAOYSA-N
XLogP1.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid (CID 130096474) is 6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid is O=C(O)c1ccc(F)c(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is RYTNCGHSYKYCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-3-1-2-4(7(12)13)11-5(3)6(9)10/h1-2,6H,(H,12,13).
What are the key properties of 6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid?
6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 191.11 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 130096474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).