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

C15H10ClFN2O — CID 53309950

IUPAC7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccc(Cl)cn2cc1Cc1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O/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
InChIKeySDGZKXDEIBEJHE-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.08
Rot. Bonds2

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

7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (PubChem CID 53309950) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
PubChem CID53309950
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccc(Cl)cn2cc1Cc1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O/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
InChIKeySDGZKXDEIBEJHE-UHFFFAOYSA-N
XLogP3.08
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
8-chloro-2-(2-(3-fluorophenyl)acetyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632521
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-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-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 90666161
(6Z)-12-chloro-6-[(4-fluorophenyl)methylidene]-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 20280212
(6Z)-10,12-dichloro-6-[(4-fluorophenyl)methylidene]-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 20280339

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (CID 53309950) is 7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is O=c1nc2ccc(Cl)cn2cc1Cc1ccc(F)cc1.
What is the InChIKey of 7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is SDGZKXDEIBEJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/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-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 288.71 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 53309950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).