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

C8H7F3N2O2 — CID 2727183

IUPAC2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-15-7-5(6(12)14)2-1-3-13-7/h1-3H,4H2,(H2,12,14)
InChIKeyKMVOIFDHPCUWSK-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.12
Rot. Bonds3

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

2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 2727183) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID2727183
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-15-7-5(6(12)14)2-1-3-13-7/h1-3H,4H2,(H2,12,14)
InChIKeyKMVOIFDHPCUWSK-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 2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 2727183) is 2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is NC(=O)c1cccnc1OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is KMVOIFDHPCUWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)4-15-7-5(6(12)14)2-1-3-13-7/h1-3H,4H2,(H2,12,14).
What are the key properties of 2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
2-(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 2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 2727183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).