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

C15H10BrFN2O — CID 53310090

IUPAC7-bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccc(Br)cn2cc1Cc1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O/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
InChIKeyHVIZDVKFAYWEFG-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.19
Rot. Bonds2

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

7-bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (PubChem CID 53310090) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 7-bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name7-bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
PubChem CID53310090
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name7-bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccc(Br)cn2cc1Cc1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O/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
InChIKeyHVIZDVKFAYWEFG-UHFFFAOYSA-N
XLogP3.19
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310095
7-Bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310092
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-[[4-Fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
CID 90666047
9-Amino-3-benzylpyrido[1,2-a]pyrimidin-2-one
CID 90666049
3-Benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 53309948
3-[(4-Fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309949
3-[(4-Bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310093
3-Benzylpyrido[1,2-a]pyrimidin-2-one
CID 90666043
7-Chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
CID 90666048
9-Amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 90666160

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 7-bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (CID 53310090) is 7-bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 7-bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 7-bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is O=c1nc2ccc(Br)cn2cc1Cc1ccc(F)cc1.
What is the InChIKey of 7-bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is HVIZDVKFAYWEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/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-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
7-bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 333.16 g/mol, XLogP of 3.19, 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-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 53310090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).