7-bromopyrido[1,2-a]pyrimidine-2,4-dione

C8H5BrN2O2 — CID 155606064

IUPAC7-bromopyrido[1,2-a]pyrimidine-2,4-dione
SMILESO=C1CC(=O)N2C=C(Br)C=CC2=N1
InChIInChI=1S/C8H5BrN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-2,4H,3H2
InChIKeyFRAVRDNVCYNUOC-UHFFFAOYSA-N
MW241.04 g/mol
LogP0.95
Rot. Bonds

About 7-bromopyrido[1,2-a]pyrimidine-2,4-dione

7-bromopyrido[1,2-a]pyrimidine-2,4-dione (PubChem CID 155606064) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 7-bromopyrido[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-bromopyrido[1,2-a]pyrimidine-2,4-dione
PubChem CID155606064
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name7-bromopyrido[1,2-a]pyrimidine-2,4-dione
SMILESO=C1CC(=O)N2C=C(Br)C=CC2=N1
InChIInChI=1S/C8H5BrN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-2,4H,3H2
InChIKeyFRAVRDNVCYNUOC-UHFFFAOYSA-N
XLogP0.95
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromopyrido[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of 7-bromopyrido[1,2-a]pyrimidine-2,4-dione (CID 155606064) is 7-bromopyrido[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for 7-bromopyrido[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for 7-bromopyrido[1,2-a]pyrimidine-2,4-dione is O=C1CC(=O)N2C=C(Br)C=CC2=N1.
What is the InChIKey of 7-bromopyrido[1,2-a]pyrimidine-2,4-dione?
The InChIKey is FRAVRDNVCYNUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-2,4H,3H2.
What are the key properties of 7-bromopyrido[1,2-a]pyrimidine-2,4-dione?
7-bromopyrido[1,2-a]pyrimidine-2,4-dione has a molecular weight of 241.04 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromopyrido[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 155606064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).