7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one

C11H4BrClF6N2O — CID 10740264

IUPAC7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)Cl)nc2ccc(Br)cn12
InChIInChI=1S/C11H4BrClF6N2O/c12-5-1-2-7-20-6(3-8(22)21(7)4-5)9(14,15)10(16,17)11(13,18)19/h1-4H
InChIKeyAZHMXTHJVYFIJN-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.02
Rot. Bonds3

About 7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 10740264) has the molecular formula C11H4BrClF6N2O and a molecular weight of 409.51 g/mol. Its IUPAC name is 7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID10740264
Molecular FormulaC11H4BrClF6N2O
Molecular Weight409.51 g/mol
Exact Mass407.91
IUPAC Name7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)Cl)nc2ccc(Br)cn12
InChIInChI=1S/C11H4BrClF6N2O/c12-5-1-2-7-20-6(3-8(22)21(7)4-5)9(14,15)10(16,17)11(13,18)19/h1-4H
InChIKeyAZHMXTHJVYFIJN-UHFFFAOYSA-N
XLogP4.02
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one (CID 10740264) is 7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C(F)(F)C(F)(F)C(F)(F)Cl)nc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AZHMXTHJVYFIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrClF6N2O/c12-5-1-2-7-20-6(3-8(22)21(7)4-5)9(14,15)10(16,17)11(13,18)19/h1-4H.
What are the key properties of 7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 409.51 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10740264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).