3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide

C9H6F6N2O2 — CID 47249049

IUPAC3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C9H6F6N2O2/c10-8(11,12)2-6(18)17-5-1-4(9(13,14)15)3-16-7(5)19/h1,3H,2H2,(H,16,19)(H,17,18)
InChIKeyCDWHXHFHQQUJQH-UHFFFAOYSA-N
MW288.15 g/mol
LogP2.28
Rot. Bonds2

About 3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide

3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (PubChem CID 47249049) has the molecular formula C9H6F6N2O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
PubChem CID47249049
Molecular FormulaC9H6F6N2O2
Molecular Weight288.15 g/mol
Exact Mass288.03
IUPAC Name3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C9H6F6N2O2/c10-8(11,12)2-6(18)17-5-1-4(9(13,14)15)3-16-7(5)19/h1,3H,2H2,(H,16,19)(H,17,18)
InChIKeyCDWHXHFHQQUJQH-UHFFFAOYSA-N
XLogP2.28
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (CID 47249049) is 3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is O=C(CC(F)(F)F)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The InChIKey is CDWHXHFHQQUJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N2O2/c10-8(11,12)2-6(18)17-5-1-4(9(13,14)15)3-16-7(5)19/h1,3H,2H2,(H,16,19)(H,17,18).
What are the key properties of 3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide has a molecular weight of 288.15 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is sourced from PubChem (CID 47249049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).