6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid

C8H7F2NO3 — CID 71757510

IUPAC6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OCC(F)F)n1
InChIInChI=1S/C8H7F2NO3/c9-6(10)4-14-7-3-1-2-5(11-7)8(12)13/h1-3,6H,4H2,(H,12,13)
InChIKeyCLGMATKWZACQSQ-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.42
Rot. Bonds4

About 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid

6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid (PubChem CID 71757510) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid
PubChem CID71757510
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OCC(F)F)n1
InChIInChI=1S/C8H7F2NO3/c9-6(10)4-14-7-3-1-2-5(11-7)8(12)13/h1-3,6H,4H2,(H,12,13)
InChIKeyCLGMATKWZACQSQ-UHFFFAOYSA-N
XLogP1.42
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid (CID 71757510) is 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid is O=C(O)c1cccc(OCC(F)F)n1.
What is the InChIKey of 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid?
The InChIKey is CLGMATKWZACQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c9-6(10)4-14-7-3-1-2-5(11-7)8(12)13/h1-3,6H,4H2,(H,12,13).
What are the key properties of 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid?
6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid has a molecular weight of 203.14 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 71757510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).