2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide

C11H9F3N4O — CID 90407175

IUPAC2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2cn(CC(F)(F)F)cn2)c1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)5-18-4-9(17-6-18)8-3-7(10(15)19)1-2-16-8/h1-4,6H,5H2,(H2,15,19)
InChIKeyYLRCPDHINGGCLK-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.61
Rot. Bonds3

About 2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide

2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide (PubChem CID 90407175) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide
PubChem CID90407175
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2cn(CC(F)(F)F)cn2)c1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)5-18-4-9(17-6-18)8-3-7(10(15)19)1-2-16-8/h1-4,6H,5H2,(H2,15,19)
InChIKeyYLRCPDHINGGCLK-UHFFFAOYSA-N
XLogP1.61
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide (CID 90407175) is 2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide is NC(=O)c1ccnc(-c2cn(CC(F)(F)F)cn2)c1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide?
The InChIKey is YLRCPDHINGGCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)5-18-4-9(17-6-18)8-3-7(10(15)19)1-2-16-8/h1-4,6H,5H2,(H2,15,19).
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide?
2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 90407175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).