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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Related Compounds

6-(1-hydroxyethyl)pyridine-2-carboxylate
CID 140749333
bis(iron(3+));tris(pyridine-2,6-dicarboxylate)
CID 19108177
tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))
CID 161281682
calcium pyridine-2,6-dicarboxylate
CID 11708274
lithium 6-(sulfomethyl)pyridine-2-carboxylate
CID 102529660
3-hydroxy-3-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]phenyl]propanoic acid
CID 138057849
cobalt(3+);tris(ethane-1,2-diamine);lanthanum(3+);tris(pyridine-2,6-dicarboxylate);tetrahydrate
CID 139203405
trisodium;6-[[bis[(6-carboxylato-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate
CID 102087870
2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol
CID 129365898
bis(6-propan-2-yl-2-pyridinyl)methanone
CID 150446878
dicopper;bis([6-(hydroxymethyl)-2-pyridinyl]methanol);bis(pyridine-2,6-dicarboxylate);hydrate
CID 139144002
methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 139140582

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).