1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide

C9H11F3N2O2 — CID 154942346

IUPAC1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide
SMILESCC(O)(N1C=CC=C(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-8(16,9(10,11)12)14-4-2-3-6(5-14)7(13)15/h2-4,16H,5H2,1H3,(H2,13,15)
InChIKeyHERLFDGVZSFWME-UHFFFAOYSA-N
MW236.19 g/mol
LogP0.50
Rot. Bonds2

About 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide

1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide (PubChem CID 154942346) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide
PubChem CID154942346
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide
SMILESCC(O)(N1C=CC=C(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-8(16,9(10,11)12)14-4-2-3-6(5-14)7(13)15/h2-4,16H,5H2,1H3,(H2,13,15)
InChIKeyHERLFDGVZSFWME-UHFFFAOYSA-N
XLogP0.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(n-Propyl)-nicotinamide
CID 21881589
1-Ethylnicotinamide
CID 21881596
1-(hydroxymethyl)-1-methyl-2H-pyridin-1-ium-3-carboxamide
CID 53957985
1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide
CID 66910956
1-(trifluoromethyl)-2H-pyridine-3-carboxamide
CID 141218767
1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide
CID 154942472
1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide
CID 155213740
1-(4,4,4-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide
CID 155213742
3-[(2,2-Difluoroethylamino)methyl]-1-methylpyridin-2-one
CID 172494295
2-Oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 177250566
2-Oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 177250571
1-(2-Methylprop-2-enyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 25965696

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide?
The IUPAC name of 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide (CID 154942346) is 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide is CC(O)(N1C=CC=C(C(N)=O)C1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide?
The InChIKey is HERLFDGVZSFWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-8(16,9(10,11)12)14-4-2-3-6(5-14)7(13)15/h2-4,16H,5H2,1H3,(H2,13,15).
What are the key properties of 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide?
1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide has a molecular weight of 236.19 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide is sourced from PubChem (CID 154942346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).