7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one

C10H7Cl3N2O — CID 2384926

IUPAC7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(Cl)cc(Cl)c2nc(CCl)cc(=O)n12
InChIInChI=1S/C10H7Cl3N2O/c1-5-7(12)3-8(13)10-14-6(4-11)2-9(16)15(5)10/h2-3H,4H2,1H3
InChIKeySSYFWLCJGRRQPZ-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.05
Rot. Bonds1

About 7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one

7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 2384926) has the molecular formula C10H7Cl3N2O and a molecular weight of 277.54 g/mol. Its IUPAC name is 7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID2384926
Molecular FormulaC10H7Cl3N2O
Molecular Weight277.54 g/mol
Exact Mass275.96
IUPAC Name7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(Cl)cc(Cl)c2nc(CCl)cc(=O)n12
InChIInChI=1S/C10H7Cl3N2O/c1-5-7(12)3-8(13)10-14-6(4-11)2-9(16)15(5)10/h2-3H,4H2,1H3
InChIKeySSYFWLCJGRRQPZ-UHFFFAOYSA-N
XLogP3.05
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 2384926) is 7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1c(Cl)cc(Cl)c2nc(CCl)cc(=O)n12.
What is the InChIKey of 7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SSYFWLCJGRRQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2O/c1-5-7(12)3-8(13)10-14-6(4-11)2-9(16)15(5)10/h2-3H,4H2,1H3.
What are the key properties of 7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 277.54 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2384926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).