7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one

C15H10BrClN2O — CID 53310092

IUPAC7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccc(Br)cn2cc1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H10BrClN2O/c16-12-3-6-14-18-15(20)11(8-19(14)9-12)7-10-1-4-13(17)5-2-10/h1-6,8-9H,7H2
InChIKeyCOCALDRHKPPYFM-UHFFFAOYSA-N
MW349.62 g/mol
LogP3.70
Rot. Bonds2

About 7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one

7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (PubChem CID 53310092) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
PubChem CID53310092
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccc(Br)cn2cc1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H10BrClN2O/c16-12-3-6-14-18-15(20)11(8-19(14)9-12)7-10-1-4-13(17)5-2-10/h1-6,8-9H,7H2
InChIKeyCOCALDRHKPPYFM-UHFFFAOYSA-N
XLogP3.70
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-Chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 12527417
7-Chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310096
7-Chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309950
3-Benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 53309948
3-Benzylpyrido[1,2-a]pyrimidin-2-one
CID 90666043
3-(4-Chloro-3-fluorophenyl)pyrido[1,2-a]pyrimidin-4-one
CID 152412642
7-Bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310090
5-(4-Chlorophenyl)-1-methylpyrimidin-4-one
CID 12284405
(6Z)-12-bromo-6-[(3-chlorophenyl)methylidene]-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 20280216
(6Z)-12-bromo-6-[(4-chlorophenyl)methylidene]-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 20280355
(6Z)-12-bromo-6-[(2-chlorophenyl)methylidene]-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 20280363
3-[(4-Chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 20568859

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (CID 53310092) is 7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is O=c1nc2ccc(Br)cn2cc1Cc1ccc(Cl)cc1.
What is the InChIKey of 7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is COCALDRHKPPYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-12-3-6-14-18-15(20)11(8-19(14)9-12)7-10-1-4-13(17)5-2-10/h1-6,8-9H,7H2.
What are the key properties of 7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 349.62 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 53310092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).