2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite

C11H11FN2O3 — CID 143197131

IUPAC2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite
SMILESCc1nc2c(O)cccn2c(=O)c1CCOF
InChIInChI=1S/C11H11FN2O3/c1-7-8(4-6-17-12)11(16)14-5-2-3-9(15)10(14)13-7/h2-3,5,15H,4,6H2,1H3
InChIKeyIMOOMYURUHHMFO-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.15
Rot. Bonds3

About 2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite

2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite (PubChem CID 143197131) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite.

Molecular Properties

Compound Name2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite
PubChem CID143197131
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite
SMILESCc1nc2c(O)cccn2c(=O)c1CCOF
InChIInChI=1S/C11H11FN2O3/c1-7-8(4-6-17-12)11(16)14-5-2-3-9(15)10(14)13-7/h2-3,5,15H,4,6H2,1H3
InChIKeyIMOOMYURUHHMFO-UHFFFAOYSA-N
XLogP1.15
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite?
The IUPAC name of 2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite (CID 143197131) is 2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite.
What is the SMILES notation for 2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite?
The canonical SMILES for 2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite is Cc1nc2c(O)cccn2c(=O)c1CCOF.
What is the InChIKey of 2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite?
The InChIKey is IMOOMYURUHHMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-7-8(4-6-17-12)11(16)14-5-2-3-9(15)10(14)13-7/h2-3,5,15H,4,6H2,1H3.
What are the key properties of 2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite?
2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite has a molecular weight of 238.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-hydroxy-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl hypofluorite is sourced from PubChem (CID 143197131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).