3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide

C9H6BrN3O2S — CID 116787231

IUPAC3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1sccc1Br
InChIInChI=1S/C9H6BrN3O2S/c10-5-3-4-16-8(5)9(15)11-6-1-2-7(14)13-12-6/h1-4H,(H,13,14)(H,11,12,15)
InChIKeyUHSZMHYTJWFVML-UHFFFAOYSA-N
MW300.14 g/mol
LogP1.85
Rot. Bonds2

About 3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide

3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide (PubChem CID 116787231) has the molecular formula C9H6BrN3O2S and a molecular weight of 300.14 g/mol. Its IUPAC name is 3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide
PubChem CID116787231
Molecular FormulaC9H6BrN3O2S
Molecular Weight300.14 g/mol
Exact Mass298.94
IUPAC Name3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1sccc1Br
InChIInChI=1S/C9H6BrN3O2S/c10-5-3-4-16-8(5)9(15)11-6-1-2-7(14)13-12-6/h1-4H,(H,13,14)(H,11,12,15)
InChIKeyUHSZMHYTJWFVML-UHFFFAOYSA-N
XLogP1.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide (CID 116787231) is 3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide is O=C(Nc1ccc(=O)[nH]n1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide?
The InChIKey is UHSZMHYTJWFVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O2S/c10-5-3-4-16-8(5)9(15)11-6-1-2-7(14)13-12-6/h1-4H,(H,13,14)(H,11,12,15).
What are the key properties of 3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide?
3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide has a molecular weight of 300.14 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 116787231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).