9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one

C10H9FN2O2 — CID 147443560

IUPAC9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(=O)n2cc(C)cc(F)c2n1
InChIInChI=1S/C10H9FN2O2/c1-6-3-7(11)10-12-8(15-2)4-9(14)13(10)5-6/h3-5H,1-2H3
InChIKeyDWRLGFMSBFSNQO-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.15
Rot. Bonds1

About 9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one

9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 147443560) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID147443560
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(=O)n2cc(C)cc(F)c2n1
InChIInChI=1S/C10H9FN2O2/c1-6-3-7(11)10-12-8(15-2)4-9(14)13(10)5-6/h3-5H,1-2H3
InChIKeyDWRLGFMSBFSNQO-UHFFFAOYSA-N
XLogP1.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 147443560) is 9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one is COc1cc(=O)n2cc(C)cc(F)c2n1.
What is the InChIKey of 9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DWRLGFMSBFSNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-6-3-7(11)10-12-8(15-2)4-9(14)13(10)5-6/h3-5H,1-2H3.
What are the key properties of 9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one?
9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 208.19 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2-methoxy-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 147443560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).