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

C12H10BrN3O3 — CID 86779478

IUPAC7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccc(Br)cn2c1=O)N1CC(O)C1
InChIInChI=1S/C12H10BrN3O3/c13-7-1-2-10-14-3-9(12(19)16(10)4-7)11(18)15-5-8(17)6-15/h1-4,8,17H,5-6H2
InChIKeyGURBOSCNLMLMIG-UHFFFAOYSA-N
MW324.13 g/mol
LogP0.27
Rot. Bonds1

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

7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 86779478) has the molecular formula C12H10BrN3O3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID86779478
Molecular FormulaC12H10BrN3O3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccc(Br)cn2c1=O)N1CC(O)C1
InChIInChI=1S/C12H10BrN3O3/c13-7-1-2-10-14-3-9(12(19)16(10)4-7)11(18)15-5-8(17)6-15/h1-4,8,17H,5-6H2
InChIKeyGURBOSCNLMLMIG-UHFFFAOYSA-N
XLogP0.27
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 86779478) is 7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccc(Br)cn2c1=O)N1CC(O)C1.
What is the InChIKey of 7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GURBOSCNLMLMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3/c13-7-1-2-10-14-3-9(12(19)16(10)4-7)11(18)15-5-8(17)6-15/h1-4,8,17H,5-6H2.
What are the key properties of 7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 324.13 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 86779478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).