1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone

C10H11FN2O — CID 126758640

IUPAC1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2ccc(F)cn2)C1
InChIInChI=1S/C10H11FN2O/c1-7(14)13-5-8(6-13)10-3-2-9(11)4-12-10/h2-4,8H,5-6H2,1H3
InChIKeyBLHWRBUXYRVCDR-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.17
Rot. Bonds1

About 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone

1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone (PubChem CID 126758640) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone
PubChem CID126758640
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2ccc(F)cn2)C1
InChIInChI=1S/C10H11FN2O/c1-7(14)13-5-8(6-13)10-3-2-9(11)4-12-10/h2-4,8H,5-6H2,1H3
InChIKeyBLHWRBUXYRVCDR-UHFFFAOYSA-N
XLogP1.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone (CID 126758640) is 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone is CC(=O)N1CC(c2ccc(F)cn2)C1.
What is the InChIKey of 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone?
The InChIKey is BLHWRBUXYRVCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-7(14)13-5-8(6-13)10-3-2-9(11)4-12-10/h2-4,8H,5-6H2,1H3.
What are the key properties of 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone?
1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone has a molecular weight of 194.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 126758640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).