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

C16H9BrClFN2O — CID 9030644

IUPAC7-bromo-2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(/C(Cl)=C/c2cccc(F)c2)nc2ccc(Br)cn12
InChIInChI=1S/C16H9BrClFN2O/c17-11-4-5-15-20-14(8-16(22)21(15)9-11)13(18)7-10-2-1-3-12(19)6-10/h1-9H/b13-7-
InChIKeyRWZXAWLBLCVERO-QPEQYQDCSA-N
MW379.62 g/mol
LogP4.33
Rot. Bonds2

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

7-bromo-2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 9030644) 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-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID9030644
Molecular FormulaC16H9BrClFN2O
Molecular Weight379.62 g/mol
Exact Mass377.96
IUPAC Name7-bromo-2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(/C(Cl)=C/c2cccc(F)c2)nc2ccc(Br)cn12
InChIInChI=1S/C16H9BrClFN2O/c17-11-4-5-15-20-14(8-16(22)21(15)9-11)13(18)7-10-2-1-3-12(19)6-10/h1-9H/b13-7-
InChIKeyRWZXAWLBLCVERO-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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one (CID 9030644) is 7-bromo-2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(/C(Cl)=C/c2cccc(F)c2)nc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RWZXAWLBLCVERO-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H9BrClFN2O/c17-11-4-5-15-20-14(8-16(22)21(15)9-11)13(18)7-10-2-1-3-12(19)6-10/h1-9H/b13-7-.
What are the key properties of 7-bromo-2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[(Z)-1-chloro-2-(3-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-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9030644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).