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

C10H9BrN2O3 — CID 118612848

IUPAC7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(OCCO)cnc2ccc(Br)cn12
InChIInChI=1S/C10H9BrN2O3/c11-7-1-2-9-12-5-8(16-4-3-14)10(15)13(9)6-7/h1-2,5-6,14H,3-4H2
InChIKeyUMBWOPHOEQMICW-UHFFFAOYSA-N
MW285.10 g/mol
LogP0.83
Rot. Bonds3

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

7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 118612848) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is 7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one
PubChem CID118612848
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(OCCO)cnc2ccc(Br)cn12
InChIInChI=1S/C10H9BrN2O3/c11-7-1-2-9-12-5-8(16-4-3-14)10(15)13(9)6-7/h1-2,5-6,14H,3-4H2
InChIKeyUMBWOPHOEQMICW-UHFFFAOYSA-N
XLogP0.83
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one (CID 118612848) is 7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one is O=c1c(OCCO)cnc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UMBWOPHOEQMICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c11-7-1-2-9-12-5-8(16-4-3-14)10(15)13(9)6-7/h1-2,5-6,14H,3-4H2.
What are the key properties of 7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 285.10 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-hydroxyethoxy)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118612848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).