1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide

C8H9F3N2O — CID 154295817

IUPAC1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide
SMILESNC(=O)C1=CN(CC(F)(F)F)C=CC1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-13-3-1-2-6(4-13)7(12)14/h1,3-4H,2,5H2,(H2,12,14)
InChIKeyWIMKOELJXYBZDG-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.14
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide

1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide (PubChem CID 154295817) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide
PubChem CID154295817
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide
SMILESNC(=O)C1=CN(CC(F)(F)F)C=CC1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-13-3-1-2-6(4-13)7(12)14/h1,3-4H,2,5H2,(H2,12,14)
InChIKeyWIMKOELJXYBZDG-UHFFFAOYSA-N
XLogP1.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide (CID 154295817) is 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide is NC(=O)C1=CN(CC(F)(F)F)C=CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide?
The InChIKey is WIMKOELJXYBZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)5-13-3-1-2-6(4-13)7(12)14/h1,3-4H,2,5H2,(H2,12,14).
What are the key properties of 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide?
1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide has a molecular weight of 206.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide is sourced from PubChem (CID 154295817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).