2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one

C11H10FN3O — CID 171995344

IUPAC2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CC(F)C2)nc2ccccn12
InChIInChI=1S/C11H10FN3O/c12-8-6-14(7-8)10-5-11(16)15-4-2-1-3-9(15)13-10/h1-5,8H,6-7H2
InChIKeyYCKDTPASLSXQKG-UHFFFAOYSA-N
MW219.22 g/mol
LogP0.85
Rot. Bonds1

About 2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one

2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 171995344) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID171995344
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CC(F)C2)nc2ccccn12
InChIInChI=1S/C11H10FN3O/c12-8-6-14(7-8)10-5-11(16)15-4-2-1-3-9(15)13-10/h1-5,8H,6-7H2
InChIKeyYCKDTPASLSXQKG-UHFFFAOYSA-N
XLogP0.85
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 171995344) is 2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(N2CC(F)C2)nc2ccccn12.
What is the InChIKey of 2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YCKDTPASLSXQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-8-6-14(7-8)10-5-11(16)15-4-2-1-3-9(15)13-10/h1-5,8H,6-7H2.
What are the key properties of 2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 219.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 171995344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).