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

C10H9ClN2O — CID 2434807

IUPAC2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CCl)cc(=O)n2c1
InChIInChI=1S/C10H9ClN2O/c1-7-2-3-9-12-8(5-11)4-10(14)13(9)6-7/h2-4,6H,5H2,1H3
InChIKeyKPABQRQVYRRJPX-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.74
Rot. Bonds1

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

2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 2434807) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID2434807
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CCl)cc(=O)n2c1
InChIInChI=1S/C10H9ClN2O/c1-7-2-3-9-12-8(5-11)4-10(14)13(9)6-7/h2-4,6H,5H2,1H3
InChIKeyKPABQRQVYRRJPX-UHFFFAOYSA-N
XLogP1.74
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 2434807) is 2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CCl)cc(=O)n2c1.
What is the InChIKey of 2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KPABQRQVYRRJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-7-2-3-9-12-8(5-11)4-10(14)13(9)6-7/h2-4,6H,5H2,1H3.
What are the key properties of 2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 208.65 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2434807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).