2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C17H11BrClFN2O — CID 9027218

IUPAC2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(/C(Cl)=C/c3ccc(F)c(Br)c3)cc(=O)n12
InChIInChI=1S/C17H11BrClFN2O/c1-10-3-2-4-16-21-15(9-17(23)22(10)16)13(19)8-11-5-6-14(20)12(18)7-11/h2-9H,1H3/b13-8-
InChIKeyIDPGUYCHJYOUCZ-JYRVWZFOSA-N
MW393.64 g/mol
LogP4.64
Rot. Bonds2

About 2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 9027218) has the molecular formula C17H11BrClFN2O and a molecular weight of 393.64 g/mol. Its IUPAC name is 2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID9027218
Molecular FormulaC17H11BrClFN2O
Molecular Weight393.64 g/mol
Exact Mass391.97
IUPAC Name2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(/C(Cl)=C/c3ccc(F)c(Br)c3)cc(=O)n12
InChIInChI=1S/C17H11BrClFN2O/c1-10-3-2-4-16-21-15(9-17(23)22(10)16)13(19)8-11-5-6-14(20)12(18)7-11/h2-9H,1H3/b13-8-
InChIKeyIDPGUYCHJYOUCZ-JYRVWZFOSA-N
XLogP4.64
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.64
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9026934
2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027058
2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027214
7-bromo-2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 9030621
7-bromo-2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 9030644
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032330
2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032441
2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032598
2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032605
2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 9037339
2-[[(5-Bromo-2-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47057354
2-[[(5-Bromo-2-fluorophenyl)methyl-ethylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 56191641

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 9027218) is 2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(/C(Cl)=C/c3ccc(F)c(Br)c3)cc(=O)n12.
What is the InChIKey of 2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IDPGUYCHJYOUCZ-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H11BrClFN2O/c1-10-3-2-4-16-21-15(9-17(23)22(10)16)13(19)8-11-5-6-14(20)12(18)7-11/h2-9H,1H3/b13-8-.
What are the key properties of 2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 393.64 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3-bromo-4-fluorophenyl)-1-chloroethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9027218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).