7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione

C8H4BrFN2O2 — CID 138958349

IUPAC7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione
SMILESO=C1CC(=O)N2C=C(Br)C=C(F)C2=N1
InChIInChI=1S/C8H4BrFN2O2/c9-4-1-5(10)8-11-6(13)2-7(14)12(8)3-4/h1,3H,2H2
InChIKeyMROMQLRDPRDJJN-UHFFFAOYSA-N
MW259.03 g/mol
LogP1.25
Rot. Bonds

About 7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione

7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione (PubChem CID 138958349) has the molecular formula C8H4BrFN2O2 and a molecular weight of 259.03 g/mol. Its IUPAC name is 7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione
PubChem CID138958349
Molecular FormulaC8H4BrFN2O2
Molecular Weight259.03 g/mol
Exact Mass257.94
IUPAC Name7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione
SMILESO=C1CC(=O)N2C=C(Br)C=C(F)C2=N1
InChIInChI=1S/C8H4BrFN2O2/c9-4-1-5(10)8-11-6(13)2-7(14)12(8)3-4/h1,3H,2H2
InChIKeyMROMQLRDPRDJJN-UHFFFAOYSA-N
XLogP1.25
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.03
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-Pyrido(1,2-a)pyrimidine-2,4(3H)-dione
CID 261420
9-Fluoro-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892468
7-Fluoro-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892490
7-Bromo-3,4-dihydro-2h-pyrido[1,2-a]pyrimidin-2-one
CID 281658
2,3-Dihydro-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 408685
3,4-Dihydro-7-bromopyrido[1,2-a]pyrimidin-2-one hydrobromide
CID 129791248
8-Bromo-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892464
9-Bromo-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892471
7-Bromo-9-methyl-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892472
7-Bromopyrido[1,2-a]pyrimidine-2,4-dione
CID 155606064
1-[(1E)-2-bromobuta-1,3-dienyl]-2-ethenylpyrimidine-4,6-dione
CID 167065196
7-Bromo-3-methylpyrido[1,2-a]pyrimidine-2,4-dione
CID 176334731

Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of 7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione (CID 138958349) is 7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for 7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for 7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione is O=C1CC(=O)N2C=C(Br)C=C(F)C2=N1.
What is the InChIKey of 7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione?
The InChIKey is MROMQLRDPRDJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O2/c9-4-1-5(10)8-11-6(13)2-7(14)12(8)3-4/h1,3H,2H2.
What are the key properties of 7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione?
7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione has a molecular weight of 259.03 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-fluoropyrido[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 138958349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).