6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one

C12H12FN3O — CID 115039378

IUPAC6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2cccc(F)n12
InChIInChI=1S/C12H12FN3O/c13-10-2-1-3-11-15-9(6-12(17)16(10)11)8-4-5-14-7-8/h1-3,6,8,14H,4-5,7H2
InChIKeyIAMRGBZZLSCKJL-UHFFFAOYSA-N
MW233.25 g/mol
LogP0.91
Rot. Bonds1

About 6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one

6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115039378) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115039378
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2cccc(F)n12
InChIInChI=1S/C12H12FN3O/c13-10-2-1-3-11-15-9(6-12(17)16(10)11)8-4-5-14-7-8/h1-3,6,8,14H,4-5,7H2
InChIKeyIAMRGBZZLSCKJL-UHFFFAOYSA-N
XLogP0.91
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dihydro-4H-imidazo[1,2-a]pyridin-4-ium-7-yl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 157784066
2-(2-Aminoethyl)-8-fluoropyrido[1,2-a]pyrimidin-4-one
CID 115025027
2-(2-Aminoethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 115025028
2-(2-Aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one
CID 115025029
9-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039372
9-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039373
8-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039374
8-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039375
7-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039376
7-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039377
6-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039379
2-Pyrrolidin-3-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052041

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one (CID 115039378) is 6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCNC2)nc2cccc(F)n12.
What is the InChIKey of 6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IAMRGBZZLSCKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-2-1-3-11-15-9(6-12(17)16(10)11)8-4-5-14-7-8/h1-3,6,8,14H,4-5,7H2.
What are the key properties of 6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 233.25 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115039378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).