6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one

C10H9ClN2O — CID 121259866

IUPAC6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2c(Cl)cccc2n1
InChIInChI=1S/C10H9ClN2O/c1-2-7-6-10(14)13-8(11)4-3-5-9(13)12-7/h3-6H,2H2,1H3
InChIKeySMTALFXCBRWKAK-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.91
Rot. Bonds1

About 6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one

6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 121259866) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID121259866
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2c(Cl)cccc2n1
InChIInChI=1S/C10H9ClN2O/c1-2-7-6-10(14)13-8(11)4-3-5-9(13)12-7/h3-6H,2H2,1H3
InChIKeySMTALFXCBRWKAK-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one (CID 121259866) is 6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one is CCc1cc(=O)n2c(Cl)cccc2n1.
What is the InChIKey of 6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SMTALFXCBRWKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-2-7-6-10(14)13-8(11)4-3-5-9(13)12-7/h3-6H,2H2,1H3.
What are the key properties of 6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one?
6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 208.65 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121259866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).