2,3-dichloropyrido[1,2-a]pyrimidin-4-one

C8H4Cl2N2O — CID 74890119

IUPAC2,3-dichloropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)nc2ccccn12
InChIInChI=1S/C8H4Cl2N2O/c9-6-7(10)11-5-3-1-2-4-12(5)8(6)13/h1-4H
InChIKeyZUYGRPKKRPCWJS-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.00
Rot. Bonds

About 2,3-dichloropyrido[1,2-a]pyrimidin-4-one

2,3-dichloropyrido[1,2-a]pyrimidin-4-one (PubChem CID 74890119) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 2,3-dichloropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dichloropyrido[1,2-a]pyrimidin-4-one
PubChem CID74890119
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name2,3-dichloropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)nc2ccccn12
InChIInChI=1S/C8H4Cl2N2O/c9-6-7(10)11-5-3-1-2-4-12(5)8(6)13/h1-4H
InChIKeyZUYGRPKKRPCWJS-UHFFFAOYSA-N
XLogP2.00
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,3-dichloropyrido[1,2-a]pyrimidin-4-one (CID 74890119) is 2,3-dichloropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,3-dichloropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,3-dichloropyrido[1,2-a]pyrimidin-4-one is O=c1c(Cl)c(Cl)nc2ccccn12.
What is the InChIKey of 2,3-dichloropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZUYGRPKKRPCWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-6-7(10)11-5-3-1-2-4-12(5)8(6)13/h1-4H.
What are the key properties of 2,3-dichloropyrido[1,2-a]pyrimidin-4-one?
2,3-dichloropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 215.04 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 74890119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).