7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one

C15H10BrClN2O2 — CID 2385146

IUPAC7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(COc2ccc(Cl)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C15H10BrClN2O2/c16-10-1-6-14-18-12(7-15(20)19(14)8-10)9-21-13-4-2-11(17)3-5-13/h1-8H,9H2
InChIKeyVHYVJWQTEZUFMO-UHFFFAOYSA-N
MW365.61 g/mol
LogP3.69
Rot. Bonds3

About 7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 2385146) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID2385146
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(COc2ccc(Cl)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C15H10BrClN2O2/c16-10-1-6-14-18-12(7-15(20)19(14)8-10)9-21-13-4-2-11(17)3-5-13/h1-8H,9H2
InChIKeyVHYVJWQTEZUFMO-UHFFFAOYSA-N
XLogP3.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2363789
7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 16769119
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-chlorophenyl)methyl]-methylazanium
CID 9040496
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-ethylphenoxy)acetate
CID 42971827
N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide
CID 22580522
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methoxyphenyl)acetate
CID 8011323
2-[(2,4-dichlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 7678957
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl cyclopropanecarboxylate
CID 7863227
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-ethoxybenzoate
CID 18199867
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-chlorobenzoate
CID 18199886
7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8797101

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 2385146) is 7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(COc2ccc(Cl)cc2)nc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VHYVJWQTEZUFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c16-10-1-6-14-18-12(7-15(20)19(14)8-10)9-21-13-4-2-11(17)3-5-13/h1-8H,9H2.
What are the key properties of 7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 365.61 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2385146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).