pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid

C10H7F3N2O3 — CID 69324439

IUPACpyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=c1ccnc2ccccn12
InChIInChI=1S/C8H6N2O.C2HF3O2/c11-8-4-5-9-7-3-1-2-6-10(7)8;3-2(4,5)1(6)7/h1-6H;(H,6,7)
InChIKeyYSZVPXDBDOEJRS-UHFFFAOYSA-N
MW260.17 g/mol
LogP1.33
Rot. Bonds

About pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid

pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 69324439) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid
PubChem CID69324439
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Namepyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=c1ccnc2ccccn12
InChIInChI=1S/C8H6N2O.C2HF3O2/c11-8-4-5-9-7-3-1-2-6-10(7)8;3-2(4,5)1(6)7/h1-6H;(H,6,7)
InChIKeyYSZVPXDBDOEJRS-UHFFFAOYSA-N
XLogP1.33
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid (CID 69324439) is pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=c1ccnc2ccccn12.
What is the InChIKey of pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is YSZVPXDBDOEJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.C2HF3O2/c11-8-4-5-9-7-3-1-2-6-10(7)8;3-2(4,5)1(6)7/h1-6H;(H,6,7).
What are the key properties of pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid?
pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 260.17 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69324439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).