3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one

C9H7FN2O2 — CID 14028557

IUPAC3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one
SMILESCOc1c(F)c(=O)nc2ccccn12
InChIInChI=1S/C9H7FN2O2/c1-14-9-7(10)8(13)11-6-4-2-3-5-12(6)9/h2-5H,1H3
InChIKeyWOFJAZKBQPNSHA-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.84
Rot. Bonds1

About 3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one

3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one (PubChem CID 14028557) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one
PubChem CID14028557
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one
SMILESCOc1c(F)c(=O)nc2ccccn12
InChIInChI=1S/C9H7FN2O2/c1-14-9-7(10)8(13)11-6-4-2-3-5-12(6)9/h2-5H,1H3
InChIKeyWOFJAZKBQPNSHA-UHFFFAOYSA-N
XLogP0.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2H-pyrido[1,2-a]pyrimidin-2-one
CID 423945
2-methoxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 638805
2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide
CID 59104649
4-Fluoropyrido[1,2-a]pyrimidin-2-one
CID 85661536
7-Bromo-9-fluoro-2-methoxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 138958343
2-propoxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3623775
Ethane;pyrido[1,2-a]pyrimidin-2-one
CID 90695477
Ethane;7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 171490674
3-Deuteriopyrido[1,2-a]pyrimidin-2-one
CID 176008707
2-Butoxypyrido[1,2-a]pyrimidin-4-one
CID 2785431
2-Ethoxypyrido[1,2-a]pyrimidin-4-one
CID 101131930
4-hydroxy-3H-pyrido[1,2-a]pyrimidin-3-id-2-one
CID 102246716

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one (CID 14028557) is 3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one is COc1c(F)c(=O)nc2ccccn12.
What is the InChIKey of 3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one?
The InChIKey is WOFJAZKBQPNSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-14-9-7(10)8(13)11-6-4-2-3-5-12(6)9/h2-5H,1H3.
What are the key properties of 3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one?
3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one has a molecular weight of 194.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 14028557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).