2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide

C12H10BrN3O2 — CID 7663464

IUPAC2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O
InChIInChI=1S/C12H10BrN3O2/c13-9-3-1-8(2-4-9)10-5-6-12(18)16(15-10)7-11(14)17/h1-6H,7H2,(H2,14,17)
InChIKeyIVAXSXOWWWPZAH-UHFFFAOYSA-N
MW308.14 g/mol
LogP1.16
Rot. Bonds3

About 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide

2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7663464) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7663464
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O
InChIInChI=1S/C12H10BrN3O2/c13-9-3-1-8(2-4-9)10-5-6-12(18)16(15-10)7-11(14)17/h1-6H,7H2,(H2,14,17)
InChIKeyIVAXSXOWWWPZAH-UHFFFAOYSA-N
XLogP1.16
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide (CID 7663464) is 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide is NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is IVAXSXOWWWPZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c13-9-3-1-8(2-4-9)10-5-6-12(18)16(15-10)7-11(14)17/h1-6H,7H2,(H2,14,17).
What are the key properties of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide?
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 308.14 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7663464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).