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

C12H12FN3O — CID 115039375

IUPAC8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCN2)nc2cc(F)ccn12
InChIInChI=1S/C12H12FN3O/c13-8-3-5-16-11(6-8)15-10(7-12(16)17)9-2-1-4-14-9/h3,5-7,9,14H,1-2,4H2
InChIKeyACNJATBLWYBWEK-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.26
Rot. Bonds1

About 8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one

8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115039375) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115039375
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCN2)nc2cc(F)ccn12
InChIInChI=1S/C12H12FN3O/c13-8-3-5-16-11(6-8)15-10(7-12(16)17)9-2-1-4-14-9/h3,5-7,9,14H,1-2,4H2
InChIKeyACNJATBLWYBWEK-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-Ethylpyrrolidin-2-yl)methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 16255203
2-(5,6-dihydro-4H-imidazo[1,2-a]pyridin-4-ium-7-yl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 157784066
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
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-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039378
6-Fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039379
2-Pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052042
2-Pyrrolidin-3-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052043
2-Pyrrolidin-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052044

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 115039375) is 8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCCN2)nc2cc(F)ccn12.
What is the InChIKey of 8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ACNJATBLWYBWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-8-3-5-16-11(6-8)15-10(7-12(16)17)9-2-1-4-14-9/h3,5-7,9,14H,1-2,4H2.
What are the key properties of 8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 233.25 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115039375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).