7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one

C10H8Br2N2O2 — CID 118612859

IUPAC7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(OCCBr)cnc2ccc(Br)cn12
InChIInChI=1S/C10H8Br2N2O2/c11-3-4-16-8-5-13-9-2-1-7(12)6-14(9)10(8)15/h1-2,5-6H,3-4H2
InChIKeyKFUOAUAFHHXPRW-UHFFFAOYSA-N
MW347.99 g/mol
LogP2.23
Rot. Bonds3

About 7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one

7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 118612859) has the molecular formula C10H8Br2N2O2 and a molecular weight of 347.99 g/mol. Its IUPAC name is 7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one
PubChem CID118612859
Molecular FormulaC10H8Br2N2O2
Molecular Weight347.99 g/mol
Exact Mass345.90
IUPAC Name7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(OCCBr)cnc2ccc(Br)cn12
InChIInChI=1S/C10H8Br2N2O2/c11-3-4-16-8-5-13-9-2-1-7(12)6-14(9)10(8)15/h1-2,5-6H,3-4H2
InChIKeyKFUOAUAFHHXPRW-UHFFFAOYSA-N
XLogP2.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.99
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one (CID 118612859) is 7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one is O=c1c(OCCBr)cnc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KFUOAUAFHHXPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2O2/c11-3-4-16-8-5-13-9-2-1-7(12)6-14(9)10(8)15/h1-2,5-6H,3-4H2.
What are the key properties of 7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 347.99 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-bromoethoxy)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118612859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).