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

C12H12FN3O — CID 115039374

IUPAC8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2cc(F)ccn12
InChIInChI=1S/C12H12FN3O/c13-9-2-4-16-11(5-9)15-10(6-12(16)17)8-1-3-14-7-8/h2,4-6,8,14H,1,3,7H2
InChIKeyMHNUMRQNYITTAZ-UHFFFAOYSA-N
MW233.25 g/mol
LogP0.91
Rot. Bonds1

About 8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one

8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115039374) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115039374
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2cc(F)ccn12
InChIInChI=1S/C12H12FN3O/c13-9-2-4-16-11(5-9)15-10(6-12(16)17)8-1-3-14-7-8/h2,4-6,8,14H,1,3,7H2
InChIKeyMHNUMRQNYITTAZ-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

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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)-9-fluoropyrido[1,2-a]pyrimidin-4-one
CID 115025026
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
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-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-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-(2-Aminoethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115047999

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one (CID 115039374) is 8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCNC2)nc2cc(F)ccn12.
What is the InChIKey of 8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MHNUMRQNYITTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-9-2-4-16-11(5-9)15-10(6-12(16)17)8-1-3-14-7-8/h2,4-6,8,14H,1,3,7H2.
What are the key properties of 8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
8-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 8-fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115039374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).