7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H8BrClF3N3O2 — CID 4845600

IUPAC7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C15H8BrClF3N3O2/c16-9-1-2-12-21-10(4-13(24)23(12)6-9)7-22-5-8(15(18,19)20)3-11(17)14(22)25/h1-6H,7H2
InChIKeyAFWCEZDQLSMGML-UHFFFAOYSA-N
MW434.60 g/mol
LogP3.34
Rot. Bonds2

About 7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 4845600) has the molecular formula C15H8BrClF3N3O2 and a molecular weight of 434.60 g/mol. Its IUPAC name is 7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID4845600
Molecular FormulaC15H8BrClF3N3O2
Molecular Weight434.60 g/mol
Exact Mass432.94
IUPAC Name7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C15H8BrClF3N3O2/c16-9-1-2-12-21-10(4-13(24)23(12)6-9)7-22-5-8(15(18,19)20)3-11(17)14(22)25/h1-6H,7H2
InChIKeyAFWCEZDQLSMGML-UHFFFAOYSA-N
XLogP3.34
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.60
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 4845600) is 7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Br)ccc2n1.
What is the InChIKey of 7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AFWCEZDQLSMGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClF3N3O2/c16-9-1-2-12-21-10(4-13(24)23(12)6-9)7-22-5-8(15(18,19)20)3-11(17)14(22)25/h1-6H,7H2.
What are the key properties of 7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 434.60 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 4845600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).