6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one

C10H9F3N2O2 — CID 126809836

IUPAC6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CC(C(F)(F)F)C1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)6-4-15(5-6)9(17)7-2-1-3-8(16)14-7/h1-3,6H,4-5H2,(H,14,16)
InChIKeyCREKNKYSGUFDNI-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.01
Rot. Bonds1

About 6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one

6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 126809836) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID126809836
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CC(C(F)(F)F)C1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)6-4-15(5-6)9(17)7-2-1-3-8(16)14-7/h1-3,6H,4-5H2,(H,14,16)
InChIKeyCREKNKYSGUFDNI-UHFFFAOYSA-N
XLogP1.01
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide
CID 71971522
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]acetamide
CID 97223378
3-Amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one
CID 130267768
N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide
CID 167238340
N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 170388004
2-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 175834576
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide
CID 40142443
N-tert-butyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47020751
2-[[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide
CID 53531133
2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 55035707
2-(5-amino-2-oxo-1-pyridinyl)-N-(3,3,3-trifluoropropyl)acetamide
CID 55174936
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492443

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one (CID 126809836) is 6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cccc(=O)[nH]1)N1CC(C(F)(F)F)C1.
What is the InChIKey of 6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is CREKNKYSGUFDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)6-4-15(5-6)9(17)7-2-1-3-8(16)14-7/h1-3,6H,4-5H2,(H,14,16).
What are the key properties of 6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one?
6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 246.19 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 126809836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).