3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid

C8H7F2NO3 — CID 50990498

IUPAC3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCC(F)F
InChIInChI=1S/C8H7F2NO3/c9-6(10)4-14-5-2-1-3-11-7(5)8(12)13/h1-3,6H,4H2,(H,12,13)
InChIKeyNFSQUJUXRVJKAL-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.42
Rot. Bonds4

About 3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid

3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid (PubChem CID 50990498) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid
PubChem CID50990498
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCC(F)F
InChIInChI=1S/C8H7F2NO3/c9-6(10)4-14-5-2-1-3-11-7(5)8(12)13/h1-3,6H,4H2,(H,12,13)
InChIKeyNFSQUJUXRVJKAL-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 3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid (CID 50990498) is 3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid?
The InChIKey is NFSQUJUXRVJKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c9-6(10)4-14-5-2-1-3-11-7(5)8(12)13/h1-3,6H,4H2,(H,12,13).
What are the key properties of 3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid?
3-(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 3-(2,2-difluoroethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 50990498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).