6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C8H7F3N2O2 — CID 2727208

IUPAC6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-15-6-2-1-5(3-13-6)7(12)14/h1-3H,4H2,(H2,12,14)
InChIKeyMAPFIQNZBPLDIX-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.12
Rot. Bonds3

About 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 2727208) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID2727208
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-15-6-2-1-5(3-13-6)7(12)14/h1-3H,4H2,(H2,12,14)
InChIKeyMAPFIQNZBPLDIX-UHFFFAOYSA-N
XLogP1.12
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 2727208) is 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is NC(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is MAPFIQNZBPLDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)4-15-6-2-1-5(3-13-6)7(12)14/h1-3H,4H2,(H2,12,14).
What are the key properties of 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 2727208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).