4-chloropyrido[1,2-a]pyrimidin-2-one

C8H5ClN2O — CID 46707323

IUPAC4-chloropyrido[1,2-a]pyrimidin-2-one
SMILESO=c1cc(Cl)n2ccccc2n1
InChIInChI=1S/C8H5ClN2O/c9-6-5-8(12)10-7-3-1-2-4-11(6)7/h1-5H
InChIKeyKDTOCGKNENHIDU-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.35
Rot. Bonds

About 4-chloropyrido[1,2-a]pyrimidin-2-one

4-chloropyrido[1,2-a]pyrimidin-2-one (PubChem CID 46707323) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 4-chloropyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-chloropyrido[1,2-a]pyrimidin-2-one
PubChem CID46707323
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name4-chloropyrido[1,2-a]pyrimidin-2-one
SMILESO=c1cc(Cl)n2ccccc2n1
InChIInChI=1S/C8H5ClN2O/c9-6-5-8(12)10-7-3-1-2-4-11(6)7/h1-5H
InChIKeyKDTOCGKNENHIDU-UHFFFAOYSA-N
XLogP1.35
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloropyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-chloropyrido[1,2-a]pyrimidin-2-one (CID 46707323) is 4-chloropyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-chloropyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-chloropyrido[1,2-a]pyrimidin-2-one is O=c1cc(Cl)n2ccccc2n1.
What is the InChIKey of 4-chloropyrido[1,2-a]pyrimidin-2-one?
The InChIKey is KDTOCGKNENHIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-6-5-8(12)10-7-3-1-2-4-11(6)7/h1-5H.
What are the key properties of 4-chloropyrido[1,2-a]pyrimidin-2-one?
4-chloropyrido[1,2-a]pyrimidin-2-one has a molecular weight of 180.59 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 46707323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).