2-bromo-7H-pyrido[2,3-d]pyridazin-8-one

C7H4BrN3O — CID 22265316

IUPAC2-bromo-7H-pyrido[2,3-d]pyridazin-8-one
SMILESO=c1[nH]ncc2ccc(Br)nc12
InChIInChI=1S/C7H4BrN3O/c8-5-2-1-4-3-9-11-7(12)6(4)10-5/h1-3H,(H,11,12)
InChIKeyIUVMOOCRAJKETH-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.08
Rot. Bonds

About 2-bromo-7H-pyrido[2,3-d]pyridazin-8-one

2-bromo-7H-pyrido[2,3-d]pyridazin-8-one (PubChem CID 22265316) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 2-bromo-7H-pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name2-bromo-7H-pyrido[2,3-d]pyridazin-8-one
PubChem CID22265316
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name2-bromo-7H-pyrido[2,3-d]pyridazin-8-one
SMILESO=c1[nH]ncc2ccc(Br)nc12
InChIInChI=1S/C7H4BrN3O/c8-5-2-1-4-3-9-11-7(12)6(4)10-5/h1-3H,(H,11,12)
InChIKeyIUVMOOCRAJKETH-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7H-pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 2-bromo-7H-pyrido[2,3-d]pyridazin-8-one (CID 22265316) is 2-bromo-7H-pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 2-bromo-7H-pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 2-bromo-7H-pyrido[2,3-d]pyridazin-8-one is O=c1[nH]ncc2ccc(Br)nc12.
What is the InChIKey of 2-bromo-7H-pyrido[2,3-d]pyridazin-8-one?
The InChIKey is IUVMOOCRAJKETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-5-2-1-4-3-9-11-7(12)6(4)10-5/h1-3H,(H,11,12).
What are the key properties of 2-bromo-7H-pyrido[2,3-d]pyridazin-8-one?
2-bromo-7H-pyrido[2,3-d]pyridazin-8-one has a molecular weight of 226.03 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7H-pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 22265316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).