1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one

C13H17FN2O — CID 126750427

IUPAC1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC(c2ccc(F)cn2)C1
InChIInChI=1S/C13H17FN2O/c1-13(2,3)12(17)16-7-9(8-16)11-5-4-10(14)6-15-11/h4-6,9H,7-8H2,1-3H3
InChIKeyNERPBQJIQBUYHR-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.19
Rot. Bonds1

About 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 126750427) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID126750427
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC(c2ccc(F)cn2)C1
InChIInChI=1S/C13H17FN2O/c1-13(2,3)12(17)16-7-9(8-16)11-5-4-10(14)6-15-11/h4-6,9H,7-8H2,1-3H3
InChIKeyNERPBQJIQBUYHR-UHFFFAOYSA-N
XLogP2.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.19
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]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one (CID 126750427) is 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC(c2ccc(F)cn2)C1.
What is the InChIKey of 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is NERPBQJIQBUYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-13(2,3)12(17)16-7-9(8-16)11-5-4-10(14)6-15-11/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 236.29 g/mol, XLogP of 2.19, 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]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).