3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane

C10H10BrClN2O — CID 91266247

IUPAC3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane
SMILESCC.O=c1c(Br)c(Cl)nc2ccccn12
InChIInChI=1S/C8H4BrClN2O.C2H6/c9-6-7(10)11-5-3-1-2-4-12(5)8(6)13;1-2/h1-4H;1-2H3
InChIKeyHUZLSPCNKFEGSD-UHFFFAOYSA-N
MW289.56 g/mol
LogP3.14
Rot. Bonds

About 3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane

3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane (PubChem CID 91266247) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is 3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane
PubChem CID91266247
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC Name3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane
SMILESCC.O=c1c(Br)c(Cl)nc2ccccn12
InChIInChI=1S/C8H4BrClN2O.C2H6/c9-6-7(10)11-5-3-1-2-4-12(5)8(6)13;1-2/h1-4H;1-2H3
InChIKeyHUZLSPCNKFEGSD-UHFFFAOYSA-N
XLogP3.14
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane?
The IUPAC name of 3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane (CID 91266247) is 3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane.
What is the SMILES notation for 3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane?
The canonical SMILES for 3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane is CC.O=c1c(Br)c(Cl)nc2ccccn12.
What is the InChIKey of 3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane?
The InChIKey is HUZLSPCNKFEGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O.C2H6/c9-6-7(10)11-5-3-1-2-4-12(5)8(6)13;1-2/h1-4H;1-2H3.
What are the key properties of 3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane?
3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane has a molecular weight of 289.56 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane is sourced from PubChem (CID 91266247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).