7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one

C11H10BrFN2O3 — CID 154932757

IUPAC7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCOc1cc(=O)n2cc(Br)cc(F)c2n1
InChIInChI=1S/C11H10BrFN2O3/c1-17-2-3-18-9-5-10(16)15-6-7(12)4-8(13)11(15)14-9/h4-6H,2-3H2,1H3
InChIKeyMYMSOEGMBFIREG-UHFFFAOYSA-N
MW317.11 g/mol
LogP1.62
Rot. Bonds4

About 7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one

7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 154932757) has the molecular formula C11H10BrFN2O3 and a molecular weight of 317.11 g/mol. Its IUPAC name is 7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one
PubChem CID154932757
Molecular FormulaC11H10BrFN2O3
Molecular Weight317.11 g/mol
Exact Mass315.99
IUPAC Name7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCOc1cc(=O)n2cc(Br)cc(F)c2n1
InChIInChI=1S/C11H10BrFN2O3/c1-17-2-3-18-9-5-10(16)15-6-7(12)4-8(13)11(15)14-9/h4-6H,2-3H2,1H3
InChIKeyMYMSOEGMBFIREG-UHFFFAOYSA-N
XLogP1.62
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.11
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one (CID 154932757) is 7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one is COCCOc1cc(=O)n2cc(Br)cc(F)c2n1.
What is the InChIKey of 7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MYMSOEGMBFIREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O3/c1-17-2-3-18-9-5-10(16)15-6-7(12)4-8(13)11(15)14-9/h4-6H,2-3H2,1H3.
What are the key properties of 7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 317.11 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-fluoro-2-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 154932757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).