7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one

C16H9BrClFN2O — CID 9030621

IUPAC7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(/C(Cl)=C/c2ccc(F)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C16H9BrClFN2O/c17-11-3-6-15-20-14(8-16(22)21(15)9-11)13(18)7-10-1-4-12(19)5-2-10/h1-9H/b13-7-
InChIKeyIVFYJAUWISFGJQ-QPEQYQDCSA-N
MW379.62 g/mol
LogP4.33
Rot. Bonds2

About 7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 9030621) has the molecular formula C16H9BrClFN2O and a molecular weight of 379.62 g/mol. Its IUPAC name is 7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID9030621
Molecular FormulaC16H9BrClFN2O
Molecular Weight379.62 g/mol
Exact Mass377.96
IUPAC Name7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(/C(Cl)=C/c2ccc(F)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C16H9BrClFN2O/c17-11-3-6-15-20-14(8-16(22)21(15)9-11)13(18)7-10-1-4-12(19)5-2-10/h1-9H/b13-7-
InChIKeyIVFYJAUWISFGJQ-QPEQYQDCSA-N
XLogP4.33
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.62
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7,9-Dichloro-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 288319
8-Ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 44622576
2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 291529
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-(4-fluorophenyl)-
CID 10657659
3-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 101891981
7-Bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8908783
2-[(4-Fluorophenyl)methylsulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 17417105
7-Chloro-2-({[(4-fluorophenyl)methyl](methyl)amino}methyl)-4H-pyrido[1,2-A]pyrimidin-4-one
CID 18087800
7-Chloro-2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47021679
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-(3-fluorophenyl)-7-methyl-
CID 10515084
2-(4-Fluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 10610938
2-(4-Fluorophenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 10706096

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one (CID 9030621) is 7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(/C(Cl)=C/c2ccc(F)cc2)nc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IVFYJAUWISFGJQ-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H9BrClFN2O/c17-11-3-6-15-20-14(8-16(22)21(15)9-11)13(18)7-10-1-4-12(19)5-2-10/h1-9H/b13-7-.
What are the key properties of 7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 379.62 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9030621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).