6-(difluoromethoxy)pyridine-3-carboxylic acid

C7H5F2NO3 — CID 71303865

IUPAC6-(difluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC(F)F)nc1
InChIInChI=1S/C7H5F2NO3/c8-7(9)13-5-2-1-4(3-10-5)6(11)12/h1-3,7H,(H,11,12)
InChIKeyCEXGVODHXUFPML-UHFFFAOYSA-N
MW189.12 g/mol
LogP1.38
Rot. Bonds3

About 6-(difluoromethoxy)pyridine-3-carboxylic acid

6-(difluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 71303865) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is 6-(difluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethoxy)pyridine-3-carboxylic acid
PubChem CID71303865
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name6-(difluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC(F)F)nc1
InChIInChI=1S/C7H5F2NO3/c8-7(9)13-5-2-1-4(3-10-5)6(11)12/h1-3,7H,(H,11,12)
InChIKeyCEXGVODHXUFPML-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 6-(difluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(difluoromethoxy)pyridine-3-carboxylic acid (CID 71303865) is 6-(difluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(difluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(difluoromethoxy)pyridine-3-carboxylic acid is O=C(O)c1ccc(OC(F)F)nc1.
What is the InChIKey of 6-(difluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is CEXGVODHXUFPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-7(9)13-5-2-1-4(3-10-5)6(11)12/h1-3,7H,(H,11,12).
What are the key properties of 6-(difluoromethoxy)pyridine-3-carboxylic acid?
6-(difluoromethoxy)pyridine-3-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 6-(difluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 71303865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).