2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide

C9H9F3N2O2 — CID 177250571

IUPAC2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
SMILESNC(=O)c1cccn(CCC(F)(F)F)c1=O
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)3-5-14-4-1-2-6(7(13)15)8(14)16/h1-2,4H,3,5H2,(H2,13,15)
InChIKeyWDFBUQRUARBWRM-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.90
Rot. Bonds3

About 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide

2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide (PubChem CID 177250571) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
PubChem CID177250571
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
SMILESNC(=O)c1cccn(CCC(F)(F)F)c1=O
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)3-5-14-4-1-2-6(7(13)15)8(14)16/h1-2,4H,3,5H2,(H2,13,15)
InChIKeyWDFBUQRUARBWRM-UHFFFAOYSA-N
XLogP0.90
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The IUPAC name of 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide (CID 177250571) is 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide is NC(=O)c1cccn(CCC(F)(F)F)c1=O.
What is the InChIKey of 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The InChIKey is WDFBUQRUARBWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)3-5-14-4-1-2-6(7(13)15)8(14)16/h1-2,4H,3,5H2,(H2,13,15).
What are the key properties of 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide has a molecular weight of 234.18 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxamide is sourced from PubChem (CID 177250571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).