4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid

C7H4F3NO3 — CID 121228470

IUPAC4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1cc(OC(F)F)c(F)cn1
InChIInChI=1S/C7H4F3NO3/c8-3-2-11-4(6(12)13)1-5(3)14-7(9)10/h1-2,7H,(H,12,13)
InChIKeyASHYTZJAQWUHIG-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.52
Rot. Bonds3

About 4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid

4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid (PubChem CID 121228470) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid
PubChem CID121228470
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1cc(OC(F)F)c(F)cn1
InChIInChI=1S/C7H4F3NO3/c8-3-2-11-4(6(12)13)1-5(3)14-7(9)10/h1-2,7H,(H,12,13)
InChIKeyASHYTZJAQWUHIG-UHFFFAOYSA-N
XLogP1.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid (CID 121228470) is 4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid is O=C(O)c1cc(OC(F)F)c(F)cn1.
What is the InChIKey of 4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is ASHYTZJAQWUHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-3-2-11-4(6(12)13)1-5(3)14-7(9)10/h1-2,7H,(H,12,13).
What are the key properties of 4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid?
4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 207.11 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 121228470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).