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

C9H7ClN2O — CID 5155027

IUPAC2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCl)nc2ccccn12
InChIInChI=1S/C9H7ClN2O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6H2
InChIKeyQANDFEYEAYUSKD-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.43
Rot. Bonds1

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

2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 5155027) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID5155027
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCl)nc2ccccn12
InChIInChI=1S/C9H7ClN2O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6H2
InChIKeyQANDFEYEAYUSKD-UHFFFAOYSA-N
XLogP1.43
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.43
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)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 5155027) is 2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CCl)nc2ccccn12.
What is the InChIKey of 2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QANDFEYEAYUSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6H2.
What are the key properties of 2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 194.62 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 5155027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).