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

C9H11F3N2O3 — CID 154942472

IUPAC1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(C(O)(CO)C(F)(F)F)C1
InChIInChI=1S/C9H11F3N2O3/c10-9(11,12)8(17,5-15)14-3-1-2-6(4-14)7(13)16/h1-3,15,17H,4-5H2,(H2,13,16)
InChIKeyFDGANMWFEQTDNE-UHFFFAOYSA-N
MW252.19 g/mol
LogP-0.53
Rot. Bonds3

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

1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide (PubChem CID 154942472) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide
PubChem CID154942472
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(C(O)(CO)C(F)(F)F)C1
InChIInChI=1S/C9H11F3N2O3/c10-9(11,12)8(17,5-15)14-3-1-2-6(4-14)7(13)16/h1-3,15,17H,4-5H2,(H2,13,16)
InChIKeyFDGANMWFEQTDNE-UHFFFAOYSA-N
XLogP-0.53
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-pyridine-3-carboxamide
CID 154942346
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103915666
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 113964774
N-(2-hydroxyethyl)-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 115775741
1-(2-hydroxyethyl)-2H-pyridine-3-carboxamide
CID 21881597

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide?
The IUPAC name of 1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide (CID 154942472) is 1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN(C(O)(CO)C(F)(F)F)C1.
What is the InChIKey of 1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide?
The InChIKey is FDGANMWFEQTDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c10-9(11,12)8(17,5-15)14-3-1-2-6(4-14)7(13)16/h1-3,15,17H,4-5H2,(H2,13,16).
What are the key properties of 1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide?
1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide has a molecular weight of 252.19 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-2H-pyridine-3-carboxamide is sourced from PubChem (CID 154942472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).