5-(difluoromethoxy)pyridine-2-carboxylic acid

C7H5F2NO3 — CID 57475871

IUPAC5-(difluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC(F)F)cn1
InChIInChI=1S/C7H5F2NO3/c8-7(9)13-4-1-2-5(6(11)12)10-3-4/h1-3,7H,(H,11,12)
InChIKeyQOGGIPBAUKZCGU-UHFFFAOYSA-N
MW189.12 g/mol
LogP1.38
Rot. Bonds3

About 5-(difluoromethoxy)pyridine-2-carboxylic acid

5-(difluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 57475871) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is 5-(difluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethoxy)pyridine-2-carboxylic acid
PubChem CID57475871
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name5-(difluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC(F)F)cn1
InChIInChI=1S/C7H5F2NO3/c8-7(9)13-4-1-2-5(6(11)12)10-3-4/h1-3,7H,(H,11,12)
InChIKeyQOGGIPBAUKZCGU-UHFFFAOYSA-N
XLogP1.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethoxy)pyridine-2-carboxylic acid (CID 57475871) is 5-(difluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1ccc(OC(F)F)cn1.
What is the InChIKey of 5-(difluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is QOGGIPBAUKZCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-7(9)13-4-1-2-5(6(11)12)10-3-4/h1-3,7H,(H,11,12).
What are the key properties of 5-(difluoromethoxy)pyridine-2-carboxylic acid?
5-(difluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 189.12 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 57475871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).