6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate

C8H5F3NO3- — CID 140749336

IUPAC6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(C(O)C(F)(F)F)n1
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)6(13)4-2-1-3-5(12-4)7(14)15/h1-3,6,13H,(H,14,15)/p-1
InChIKeyVCBXMBMGYDIHCJ-UHFFFAOYSA-M
MW220.13 g/mol
LogP0.04
Rot. Bonds2

About 6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate

6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate (PubChem CID 140749336) has the molecular formula C8H5F3NO3- and a molecular weight of 220.13 g/mol. Its IUPAC name is 6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate
PubChem CID140749336
Molecular FormulaC8H5F3NO3-
Molecular Weight220.13 g/mol
Exact Mass220.02
IUPAC Name6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(C(O)C(F)(F)F)n1
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)6(13)4-2-1-3-5(12-4)7(14)15/h1-3,6,13H,(H,14,15)/p-1
InChIKeyVCBXMBMGYDIHCJ-UHFFFAOYSA-M
XLogP0.04
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate?
The IUPAC name of 6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate (CID 140749336) is 6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate.
What is the SMILES notation for 6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate?
The canonical SMILES for 6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate is O=C([O-])c1cccc(C(O)C(F)(F)F)n1.
What is the InChIKey of 6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate?
The InChIKey is VCBXMBMGYDIHCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6F3NO3/c9-8(10,11)6(13)4-2-1-3-5(12-4)7(14)15/h1-3,6,13H,(H,14,15)/p-1.
What are the key properties of 6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate?
6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate has a molecular weight of 220.13 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate is sourced from PubChem (CID 140749336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).