5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one

C12H15F3N2O — CID 171825625

IUPAC5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(CCCN2CCC2)c[nH]1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-7-11(18)16-8-9(10)3-1-4-17-5-2-6-17/h7-8H,1-6H2,(H,16,18)
InChIKeyHPAIUANHCMQCMB-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.03
Rot. Bonds4

About 5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one

5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 171825625) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID171825625
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(CCCN2CCC2)c[nH]1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-7-11(18)16-8-9(10)3-1-4-17-5-2-6-17/h7-8H,1-6H2,(H,16,18)
InChIKeyHPAIUANHCMQCMB-UHFFFAOYSA-N
XLogP2.03
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 171825625) is 5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)c(CCCN2CCC2)c[nH]1.
What is the InChIKey of 5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is HPAIUANHCMQCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)10-7-11(18)16-8-9(10)3-1-4-17-5-2-6-17/h7-8H,1-6H2,(H,16,18).
What are the key properties of 5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 260.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 171825625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).